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458-37-7

姜黄素(458-37-7)红外图谱(IR2)

产品名称:姜黄素

CAS:458-37-7

分子式:C21H20O6

分子量: 368.38

InChI:InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

Smiles:C1(/C=C/C(=O)CC(=O)/C=C/C2C=CC(O)=C(OC)C=2)C=CC(O)=C(OC)C=1

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    Mass

    MS-NW-0387          
    trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
    C21H20O6            (Mass of molecular ion:    368)
    

       Source Temperature: 170 °C
       Sample Temperature: 270 °C
       Direct, 75 eV
    

          15.0       1.3
          18.0       1.7
          27.0       1.4
          28.0       2.6
          39.0       5.5
          41.0       1.9
          43.0       1.8
          50.0       2.3
          51.0       7.5
          52.0       4.6
          53.0       2.9
          54.0       1.0
          55.0       4.1
          62.0       1.6
          63.0       5.6
          64.0       1.9
          65.0       6.5
          66.0       1.0
          67.0       1.0
          69.0       5.8
          75.0       1.5
          76.0       2.1
          77.0      12.2
          78.0       9.1
          79.0       2.9
          81.0       1.1
          88.0       1.1
          89.0      16.1
          90.0       3.0
          91.0      10.0
          92.0       1.5
          94.0       1.5
          95.0       1.1
         101.0       1.9
         102.0       3.1
         103.0       7.8
         104.0       1.5
         105.0       5.6
         106.0       4.6
         107.0       7.2
         108.0       1.4
         109.0       1.7
         110.0       2.0
         115.0       3.7
         116.0       1.0
         117.0      15.7
         118.0       5.7
         119.0       6.1
         120.0       3.3
         121.0       1.5
         122.0       1.7
         123.0       1.4
         124.0       3.7
         127.0       1.2
         128.0       1.0
         130.0       2.7
         131.0      17.4
         132.0       3.8
         133.0       4.5
         134.0       8.6
         135.0      13.0
         136.0       5.2
         137.0      38.8
         138.0       5.3
         139.0       3.8
         140.0       1.1
         143.0       3.0
         144.0       1.7
         145.0      32.3
         146.0       7.4
         147.0      18.0
         148.0       6.6
         149.0      12.4
         150.0      28.3
         151.0       6.0
         152.0       1.3
         154.0       1.9
         155.0       1.0
         159.0       6.4
         160.0       5.3
         161.0       6.3
         162.0       3.8
         163.0       6.2
         164.0       7.0
         165.0       1.7
         168.0       2.3
         169.0       1.1
         170.0       1.6
         171.0       1.1
         173.0       2.2
         174.0       5.5
         175.0      10.7
         176.0       8.6
         177.0     100.0
         178.0      15.1
         179.0       3.4
         184.0       1.9
         185.0       1.0
         187.0       1.7
         188.0       1.2
         189.0       2.1
         190.0      41.4
         191.0      33.2
         192.0       6.1
         193.0       1.2
         201.0       2.8
         202.0       3.3
         203.0       4.8
         204.0       3.7
         205.0       1.2
         206.0       1.3
         207.0       1.1
         211.0       1.2
         213.0       1.1
         214.0       1.5
         215.0       1.1
         216.0       1.8
         217.0      15.6
         218.0       4.7
         219.0       3.3
         226.0       4.7
         227.0       2.6
         230.0       1.3
         231.0       3.9
         232.0      14.0
         233.0       2.5
         242.0       1.9
         243.0       1.0
         244.0       6.8
         245.0       2.6
         259.0       1.5
         270.0       3.2
         271.0       2.5
         272.0      15.7
         273.0       2.9
         298.0       2.4
         307.0       1.5
         319.0       2.6
         320.0       4.8
         321.0       2.0
         322.0       2.3
         325.0       1.0
         326.0       1.6
         333.0       1.8
         335.0       4.1
         336.0       1.4
         337.0       1.1
         338.0       4.3
         339.0       2.1
         340.0       2.0
         349.0       4.8
         350.0      34.1
         351.0      10.7
         352.0       2.3
         367.0       1.7
         368.0      36.9
         369.0       8.7
         370.0       2.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C21 H20 O6 0.039 g : 0.5 ml DMSO-d6
    trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 16.5 B 9.70 C 7.578 D 7.345 E 7.172 F 6.852 G 6.779 J 6.075 K 3.859

         Hz     ppm     Int.
    

       3875.24   9.697    194
       3036.62   7.599    153
       3021.00   7.560    159
       2936.52   7.348    171
       2934.81   7.344    170
       2871.83   7.186     79
       2870.12   7.182     86
       2863.53   7.166     94
       2861.82   7.161     99
       2742.68   6.863    215
       2734.62   6.843    207
       2717.04   6.799    152
       2701.17   6.759    138
       2427.98   6.076    139
       1542.72   3.861   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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