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17241-59-7

2-羟甲基蒽醌(17241-59-7)质谱(MS)

产品名称:2-羟甲基蒽醌

CAS:17241-59-7

分子式:C15H10O3

分子量: 238.24

InChI:InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2

InChIKey: JYKHAJGLEVKEAA-UHFFFAOYSA-N

Smiles:C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1CO

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    Mass

    MS-NW-6189          
    2-(hydroxymethyl)anthraquinone
    C15H10O3            (Mass of molecular ion:    238)
    

       Source Temperature: 220 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          18.0       4.0
          27.0       1.0
          28.0       2.0
          29.0       2.2
          31.0       1.7
          39.0       2.4
          50.0       5.6
          51.0       5.3
          52.0       1.0
          53.0       1.3
          62.0       2.1
          63.0       3.7
          69.5       1.1
          74.0       5.0
          75.0       9.0
          75.5       2.3
          76.0      10.9
          76.5       1.0
          77.0      10.8
          78.0       1.6
          81.5       1.7
          82.0       2.7
          82.5       1.8
          86.0       1.5
          87.0       2.2
          89.0       1.5
          90.0       1.4
          90.5       1.2
          98.0       1.3
          99.0       1.8
         101.0       1.5
         102.0       1.1
         103.0       1.3
         104.0       3.1
         105.0      10.1
         106.0       1.0
         115.0       1.3
         119.0       1.4
         125.0       1.7
         126.0       2.6
         127.0       2.5
         133.0       1.1
         139.0       1.5
         150.0       8.3
         151.0      21.2
         152.0      28.9
         153.0      20.3
         154.0       4.1
         163.0       5.1
         164.0      10.6
         165.0      10.1
         166.0       2.8
         179.0       4.1
         180.0       3.8
         181.0      24.4
         182.0       4.7
         192.0      10.4
         193.0       6.5
         194.0       5.6
         207.0       8.0
         208.0       2.8
         209.0     100.0
         210.0      25.8
         211.0       3.4
         220.0       1.4
         221.0       2.7
         222.0       9.2
         223.0       1.8
         235.0      15.5
         236.0      17.7
         237.0       9.7
         238.0      75.4
         239.0      13.0
         240.0       1.7
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C15 H10 O3 0.033 g : 0.5 ml DMSO-d6
    2-(hydroxymethyl)anthraquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.15 B 8.113 C 8.110 D 7.89 E 7.810 F 5.62 G 4.707

         Hz     ppm     Int.
    

       3262.21   8.163    405
       3259.28   8.156    637
       3256.35   8.149    639
       3254.03   8.143    471
       3253.17   8.141    640
       3250.12   8.133    527
       3245.36   8.121    847
       3243.41   8.116    740
       3242.92   8.115    735
       3242.07   8.113    731
       3241.70   8.112    730
       3237.55   8.101    853
       3163.70   7.917    127
       3162.84   7.915    102
       3159.30   7.906    954
       3156.37   7.898    594
       3155.52   7.896    557
       3153.81   7.892    591
       3150.15   7.883    838
       3145.75   7.872     93
       3125.85   7.822    413
       3125.00   7.820    374
       3124.27   7.818    362
       3117.80   7.802    357
       3116.94   7.800    334
       3116.21   7.798    324
       2251.95   5.635    408
       2246.22   5.621    899
       2240.48   5.607    428
       1883.91   4.714   1000
       1878.17   4.700    977
    

in DMSO-d6

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KBr disc

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nujol mull

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