876-02-8

4-羟基-3-甲基苯乙酮(876-02-8)核磁图(¹³CNMR)

产品名称:4-羟基-3-甲基苯乙酮

CAS:876-02-8

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3

InChIKey: LXBHHIZIQVZGFN-UHFFFAOYSA-N

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

Mass

MS-NW-6576          
4'-hydroxy-3'-methylacetophenone
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       3.6
      27.0       2.8
      28.0       1.9
      38.0       1.5
      39.0       6.1
      43.0       8.9
      44.0       1.7
      44.5       1.0
      50.0       3.2
      51.0       6.5
      52.0       3.4
      53.0       4.5
      55.0       1.3
      62.0       1.5
      63.0       2.9
      65.0       1.2
      67.0       1.6
      74.0       1.3
      77.0      18.6
      78.0       4.7
      79.0      10.9
      91.0       1.6
     105.0       1.2
     106.0       2.2
     107.0      20.5
     108.0       3.2
     121.0       1.4
     131.0       1.3
     132.0       3.2
     134.0       1.1
     135.0     100.0
     136.0       9.6
     137.0       1.0
     149.0       1.1
     150.0      42.0
     151.0       4.4

90 MHz in CDCl3

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.041 g : 0.5 ml CDCl₃
4'-hydroxy-3'-methylacetophenone

    Assign.     Shift(ppm)

      A             7.80
      B             7.74
      C             7.38
      D             6.90
      E             2.575
      F             2.303

     Hz     ppm     Int.

    698.55   7.800    133
    698.03   7.794    160
    690.60   7.712     51
    690.17   7.707     51
    688.38   7.687     35
    687.78   7.680     33
    660.18   7.372     44
    621.64   6.942     62
    621.22   6.937     62
    613.35   6.849     55
    230.63   2.576   1000
    227.98   2.546     23
    206.27   2.304    418

¹H NMR	399.65 MHz
C₉ H₁₀ O₂	0.038 g : 0.5 ml DMSO-d₆
4'-hydroxy-3'-methylacetophenone

    Assign.     Shift(ppm)

      A            10.3
      B             7.735
      C             7.686
      D             6.880
      E             2.473
      F             2.179
     
     J(B,C)=2.0HZ
     J(C,D)=8.4HZ
     90MHZ:HSP-03-331 IN CDCL3

     Hz     ppm     Int.

   4112.39  10.290     51
   3092.19   7.738    126
   3090.67   7.734    149
   3090.21   7.733    149
   3077.39   7.701     88
   3075.10   7.695     73
   3069.00   7.680     89
   3066.71   7.674     80
   2754.06   6.892    163
   2745.67   6.871    157
    988.46   2.474   1000
    870.97   2.180    686

in CDCl3

in DMSO-d6