2589-72-2

4'-羟基苯己酮(2589-72-2)核磁图(¹³CNMR)

产品名称:4'-羟基苯己酮

CAS:2589-72-2

分子式:C12H16O2

分子量: 192.25

InChI:InChI=1S/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3

InChIKey: YDGNMJZDWLQUTE-UHFFFAOYSA-N

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

Mass

MS-IW-8194          
4'-hydroxyhexanophenone
C12H16O2            (Mass of molecular ion:    192)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.9
      27.0       1.1
      29.0       1.0
      39.0       3.3
      41.0       1.2
      43.0       1.0
      55.0       1.5
      65.0       7.4
      93.0      11.9
      94.0       1.7
     121.0     100.0
     122.0       7.9
     123.0       1.0
     136.0      72.0
     137.0       6.5
     149.0       6.3
     192.0       7.4
     193.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₆ O₂	0.033 g : 0.5 ml CDCl₃
4'-hydroxyhexanophenone

    Assign.     Shift(ppm)

      A             8.08
      B             7.919
      C             6.966
      D             2.939
      E             1.734
      F             1.35
      G             0.887

     Hz     ppm     Int.

   3228.76   8.079    746
   3172.24   7.938     99
   3169.43   7.931    820
   3167.48   7.926    235
   3162.72   7.914    272
   3160.77   7.909    853
   3157.84   7.902     91
   2791.26   6.985    106
   2788.57   6.978    867
   2786.62   6.973    240
   2781.74   6.961    266
   2779.79   6.956    828
   2776.98   6.949     86
   1182.25   2.959    457
   1174.93   2.940    635
   1171.88   2.933     88
   1167.24   2.921    508
    707.64   1.771     50
    702.64   1.759     85
    700.07   1.752    176
    697.51   1.746    120
    692.63   1.734    254
    687.87   1.722    138
    685.30   1.715    194
    680.66   1.704     54
    677.98   1.697     69
    555.79   1.391     30
    553.83   1.386     32
    550.42   1.378     84
    547.49   1.370    262
    544.07   1.362    327
    543.21   1.360    336
    540.41   1.353    813
    536.87   1.344    499
    533.08   1.334    546
    526.73   1.318     85
    366.46   0.917     34
    361.69   0.906    401
    359.01   0.899    211
    354.61   0.888   1000
    352.17   0.882    321
    350.10   0.877    208
    347.53   0.870    316

in CDCl3