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2-Chloro-3',4'-dihydroxyacetophenone

Product Name 2-Chloro-3',4'-dihydroxyacetophenone

CAS99-40-1

MFC8H7ClO3

MW186.59

Mass

MS-NW-0206          
2-chloro-3',4'-dihydroxyacetophenone
C8H7ClO3            (Mass of molecular ion:    186)

   Source Temperature: 210 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      27.0       3.4
      29.0       1.3
      38.0       1.5
      39.0       2.9
      42.0       1.1
      49.0       1.4
      50.0       3.9
      51.0       7.5
      52.0       5.0
      53.0       4.6
      55.0       4.6
      62.0       2.5
      63.0       4.8
      65.0       1.3
      68.5       1.0
      77.0       3.3
      79.0       1.5
      80.0       1.2
      81.0       8.9
      91.0       1.5
     107.0       1.0
     108.0       2.2
     109.0      21.4
     110.0       2.0
     123.0       5.6
     136.0       2.2
     137.0     100.0
     138.0       8.0
     152.0       1.4
     186.0      18.9
     187.0       1.9
     188.0       6.4

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₇ Cl O₃	0.039 g : 0.5 ml DMSO-d₆
2-chloro-3',4'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A             7.403
      B             7.381
      C             6.855
      D             5.023

     Hz     ppm     Int.

   2964.32   7.418    128
   2962.19   7.412    163
   2956.09   7.397    118
   2953.95   7.392    222
   2950.59   7.383    358
   2948.46   7.378    219
   2743.84   6.866    263
   2735.60   6.845    248
   2007.45   5.024   1000

¹H NMR	89.56 MHz
C₈ H₇ Cl O₃	0.040 g : 0.5 ml DMSO-d₆
2-chloro-3',4'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A     *1     10.00
      B     *1      9.41
      C             7.39
      D             7.36
      E             6.849
      F             4.996

     Hz     ppm     Int.

    896.04  10.005     73
    842.72   9.410     71
    667.97   7.459     80
    665.77   7.434    143
    664.53   7.420     36
    664.09   7.416     38
    661.23   7.384    211
    659.18   7.361    441
    656.84   7.335     62
    617.21   6.892    194
    615.01   6.868     51
    610.84   6.821     50
    610.03   6.812     32
    608.50   6.795    142
    447.51   4.997   1000
    444.43   4.963     38

KBr disc

nujol mull

4880 A,100M,powder

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