699-83-2

2,6-二羟基苯乙酮(699-83-2)核磁图(¹³CNMR)

产品名称:2,6-二羟基苯乙酮

CAS:699-83-2

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

InChIKey: YPTJKHVBDCRKNF-UHFFFAOYSA-N

Smiles:C(=O)(C1=C(O)C=CC=C1O)C

Mass

MS-NW-6522          
2',6'-dihydroxyacetophenone
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.8
      18.0       1.5
      27.0       3.8
      28.0       1.6
      29.0       1.4
      37.0       1.1
      38.0       2.4
      39.0       6.8
      41.0       1.1
      42.0       1.1
      43.0      12.0
      50.0       1.9
      51.0       4.4
      52.0       3.7
      53.0       4.7
      54.0       1.2
      55.0       4.4
      62.0       1.9
      63.0       3.1
      66.0       1.0
      68.5       2.8
      69.0       2.4
      77.0       2.6
      78.0       3.1
      79.0       1.0
      80.0       1.3
      81.0      12.8
      82.0       1.2
      91.0       1.3
     105.0       1.9
     106.0       1.4
     107.0       1.6
     108.0       2.4
     109.0       2.1
     110.0       1.2
     123.0       1.7
     134.0       1.6
     137.0     100.0
     138.0       8.3
     139.0       1.0
     152.0      52.1
     153.0       4.9

90 MHz in CDCl3

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₈ H₈ O₃	0.043 g : 0.5 ml CDCl₃
2',6'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A             9.63
      B             7.24
      C             6.41
      D             2.752

     Hz     ppm     Int.

    867.81   9.690     28
    867.50   9.687     32
    862.13   9.627    183
    858.25   9.583     33
    656.81   7.334     68
    651.31   7.273     27
    649.00   7.247    105
    648.19   7.238     98
    640.44   7.151    101
    577.31   6.447    311
    575.31   6.424     37
    572.25   6.390     27
    569.19   6.356    229
    566.88   6.330     26
    249.56   2.787     77
    246.56   2.754   1000
    243.44   2.719     42

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.038 g : 0.5 ml DMSO-d₆
2',6'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A            11.8
      B             7.262
      C             6.392
      D             2.655

     Hz     ppm     Int.

   4729.72  11.835    613
   2910.70   7.284     91
   2902.64   7.263    175
   2894.40   7.243     98
   2558.65   6.403    387
   2550.41   6.382    370
   1061.45   2.656   1000

in CDCl3

in DMSO-d6