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64-86-8

秋水仙碱(64-86-8)质谱(MS)

产品名称:秋水仙碱

CAS:64-86-8

分子式:C22H25NO6

分子量: 399.44

InChI:InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

Smiles:C(N[C@@H]1C2C(C3=C(OC)C(OC)=C(OC)C=C3CC1)=CC=C(OC)C(=O)C=2)(=O)C

  • 图谱
    Mass

    MS-NW-2286          
    colchicine
    C22H25NO6           (Mass of molecular ion:    399)
    

       Source Temperature: 230 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          14.0       1.9
          15.0       9.7
          17.0       3.9
          18.0      19.9
          27.0       1.9
          28.0      10.8
          29.0       2.2
          30.0       3.2
          31.0       2.7
          32.0       1.7
          39.0       2.6
          40.0       1.6
          41.0       3.9
          42.0       3.2
          43.0      32.4
          44.0       2.4
          45.0       1.6
          51.0       2.5
          52.0       1.0
          53.0       1.3
          55.0       1.9
          56.0       1.2
          57.0       1.5
          59.0       1.1
          60.0       1.5
          63.0       3.1
          65.0       1.6
          69.0       1.1
          70.0       1.0
          73.0       1.2
          74.0       1.0
          75.0       2.2
          76.0       2.8
          77.0       2.9
          78.0       1.3
          84.0       1.1
          87.0       1.5
          88.0       1.3
          89.0       2.3
          90.0       1.0
          91.0       1.5
          98.0       1.2
          99.0       1.1
         100.0       1.0
         101.0       1.5
         102.0       1.6
         103.0       1.4
         104.0       1.1
         112.0       1.0
         113.0       1.7
         114.0       2.0
         115.0       4.5
         116.0       1.3
         117.0       1.0
         118.0       1.1
         126.0       2.5
         127.0       4.5
         128.0       3.7
         129.0       1.8
         130.0       1.1
         131.0       1.1
         133.0       1.2
         134.0       1.0
         138.0       1.0
         139.0       5.5
         140.0       3.9
         141.0       4.4
         142.0       1.9
         143.0       1.1
         147.0       1.0
         148.0       1.0
         148.5       1.3
         149.0       1.1
         150.0       1.2
         151.0       2.9
         152.0       5.7
         153.0       3.5
         154.0       2.3
         155.0       3.0
         156.0       2.4
         157.0       1.8
         163.0       1.6
         164.0       1.5
         165.0       3.9
         166.0       2.4
         167.0       3.0
         168.0       3.7
         169.0       3.0
         170.0       3.0
         171.0       1.8
         172.0       1.0
         176.0       1.2
         177.0       1.3
         178.0       1.9
         179.0       1.8
         180.0       2.3
         181.0       4.2
         182.0       2.9
         183.0       5.0
         184.0       2.6
         185.0       2.1
         190.0       1.1
         191.0       1.3
         192.0       1.6
         193.0       1.5
         194.0       2.2
         195.0       3.5
         196.0       3.4
         197.0       2.9
         198.0       2.3
         199.0       2.6
         200.0       1.5
         205.0       1.4
         206.0       1.3
         207.0       3.1
         208.0       2.5
         209.0       3.2
         210.0       3.1
         211.0       6.8
         212.0       3.4
         213.0       2.5
         214.0       1.1
         220.0       1.5
         221.0       1.9
         222.0       3.6
         223.0       4.3
         224.0       4.2
         225.0       3.9
         226.0       3.3
         227.0       3.3
         228.0       2.1
         234.0       1.0
         235.0       2.8
         236.0       2.9
         237.0       3.7
         238.0       6.2
         239.0       7.3
         240.0       4.3
         241.0       3.3
         242.0       2.4
         243.0       1.3
         249.0       1.5
         250.0       2.7
         251.0       6.3
         252.0       4.8
         253.0       4.3
         254.0      14.9
         255.0       5.8
         256.0       3.7
         257.0       1.7
         263.0       1.3
         264.0       1.7
         265.0       4.9
         266.0       8.4
         267.0       8.1
         268.0       7.7
         269.0      12.3
         270.0       9.6
         271.0       4.2
         272.0       1.2
         278.0       1.3
         279.0       2.7
         280.0       3.2
         281.0      30.8
         282.0      15.6
         283.0       7.8
         284.0       5.2
         285.0       3.0
         286.0       4.3
         287.0       1.2
         293.0       1.3
         294.0       7.2
         295.0       3.5
         296.0       6.9
         297.0      38.5
         298.0      20.8
         299.0       9.8
         300.0       9.6
         301.0       2.4
         307.0       1.0
         308.0       1.8
         309.0       3.2
         310.0       3.4
         311.0      16.1
         312.0     100.0
         313.0      21.5
         314.0      10.4
         315.0       2.7
         322.0       4.2
         323.0       1.6
         324.0       2.0
         325.0       6.1
         326.0       3.5
         327.0       2.1
         328.0       9.0
         329.0       2.5
         338.0       1.5
         339.0       1.8
         340.0       8.7
         341.0       2.7
         342.0       2.4
         343.0       2.2
         353.0       1.2
         356.0       7.8
         357.0       4.1
         358.0       1.0
         370.0       1.8
         371.0      29.4
         372.0       6.9
         373.0       1.1
         381.0       1.4
         385.0       2.1
         399.0      41.5
         400.0       9.9
         401.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C22 H25 N O6 0.039 g : 0.5 ml CDCl3
    colchicine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.55 B 7.675 C 7.374 D 6.926 E 6.554 F 4.661 G *1 4.031 J *1 3.953 K *1 3.919 L *1 3.669 M 2.53 N 2.43 to 2.28 P 2.00 Q 1.965 ASSIGNED BY H-H AND C-H COSY. J(A,F)=6.0HZ J(C,D)=10.9HZ

         Hz     ppm     Int.
    

       3422.12   8.563     43
       3415.89   8.548     46
       3067.38   7.676    162
       2953.00   7.389     95
       2942.14   7.362    112
       2773.44   6.940     80
       2762.21   6.912     73
       2619.51   6.555    196
       1610.96   4.031    454
       1579.96   3.954   1000
       1566.41   3.920    653
       1466.31   3.669    852
       1009.52   2.527     33
        954.71   2.389     46
        948.85   2.375     74
        785.52   1.966    591
    

in CDCl3

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KBr disc

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nujol mull

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