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Alizarin

Product Name Alizarin

CAS72-48-0

MFC14H8O4

MW240.21

¹³CNMR

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

¹H NMR	399.65 MHz
C₁₄ H₈ O₄	0.038 g : 0.5 ml DMSO-d₆
alizarin

    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

¹H NMR	89.56 MHz
C₁₄ H₈ O₄	0.046 g : 0.5 ml DMSO-d₆
alizarin

    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

KBr disc

nujol mull

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