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72-48-0

1,2-二羟基蒽醌(72-48-0)红外图谱(IR1)

产品名称:1,2-二羟基蒽醌

CAS:72-48-0

分子式:C14H8O4

分子量: 240.21

InChI:InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H

InChIKey: RGCKGOZRHPZPFP-UHFFFAOYSA-N

Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1O

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    Mass

    MS-NW-0273          
    alizarin
    C14H8O4             (Mass of molecular ion:    240)
    

       Source Temperature: 170 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          50.0       2.5
          51.0       3.5
          62.0       1.2
          63.0       2.3
          64.0       1.6
          69.0       1.4
          74.0       1.7
          75.0       2.3
          76.0       2.5
          77.0       4.2
          78.0       1.1
          79.0       1.5
          87.0       1.1
          92.0       4.1
         101.0       1.7
         102.0       2.0
         105.0       2.7
         106.0       1.3
         120.0       2.0
         126.0       2.6
         127.0       4.6
         128.0       6.3
         135.0       1.0
         137.0       1.7
         138.0       6.9
         139.0       1.7
         155.0       2.4
         156.0       1.5
         183.0       4.1
         184.0       6.2
         211.0       3.2
         212.0      10.9
         213.0       1.6
         239.0      10.5
         240.0     100.0
         241.0      15.6
         242.0       1.9
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C14 H8 O4 0.038 g : 0.5 ml DMSO-d6
    alizarin
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.158 B *1 8.109 C 7.86 D 7.598 E 7.194

         Hz     ppm     Int.
    

       4653.34  11.644     25
       3263.48   8.166    577
       3256.33   8.148    659
       3250.29   8.133    151
       3244.43   8.119    614
       3237.10   8.100    646
       3155.78   7.897    258
       3148.63   7.879    676
       3143.14   7.865   1000
       3137.83   7.852    616
       3130.68   7.834    212
       3041.11   7.610    856
       3032.87   7.589    931
       2879.38   7.205    742
       2871.13   7.185    694
    

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    1H NMR 89.56 MHz
    C14 H8 O4 0.046 g : 0.5 ml DMSO-d6
    alizarin
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.57 B *1 10.8 C 8.12 D 7.88 E 7.588 F 7.195

         Hz     ppm     Int.
    

       1125.62  12.569    822
        966.94  10.797    187
        739.73   8.260     47
        738.88   8.251     50
        735.21   8.210    282
        730.42   8.156    580
        726.57   8.113    793
        724.10   8.086    515
        722.30   8.065    660
        718.97   8.028    209
        717.52   8.012    174
        713.24   7.964    257
        708.97   7.917   1000
        704.53   7.867    691
        700.00   7.816    546
        695.04   7.761    101
        693.25   7.741     63
        692.74   7.735     62
        691.88   7.726     60
        691.37   7.720     58
        690.77   7.713     56
        690.43   7.710     58
        689.83   7.703     61
        689.40   7.698     56
        688.98   7.693     54
        688.55   7.689     55
        684.53   7.644    598
        681.63   7.611     93
        681.12   7.606     90
        680.18   7.595     77
        676.25   7.551    903
        672.14   7.505     68
        670.35   7.485     47
        661.89   7.391     49
        661.04   7.381     45
        652.58   7.287     44
        652.15   7.282     48
        651.12   7.271     66
        647.71   7.233    881
        644.20   7.193    105
        643.52   7.186     98
        643.09   7.181     98
        639.42   7.140    581
        636.60   7.109     66
        635.66   7.098     51
        635.23   7.093     42
    

in DMSO-d6

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KBr disc

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nujol mull

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