3-羥甲基-2-甲基聯(lián)苯(76350-90-8)質(zhì)譜(MS)

產(chǎn)品名稱:3-羥甲基-2-甲基聯(lián)苯

CAS:76350-90-8

分子式:C14H14O

分子量: 198.26

InChI:InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3

InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=CC(CO)=C1C

Mass

MS2015-05117CW      
(2-methyl-3-biphenylyl)methanol
C14H14O             (Mass of molecular ion:    198)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      28.0       1.2
      39.0       1.8
      51.0       2.8
      63.0       2.9
      65.0       2.1
      74.0       1.0
      75.0       1.5
      76.0       4.3
      77.0       6.4
      78.0       1.2
      82.0       1.5
      82.5       3.1
      87.0       1.2
      88.0       1.4
      89.0       9.8
      90.0       2.6
      91.0       4.9
      91.5       1.0
      93.0       1.3
      98.0       1.1
     102.0       1.8
     113.0       1.0
     115.0       7.4
     116.0       1.0
     121.0       1.0
     126.0       1.7
     127.0       3.0
     128.0       5.7
     129.0       2.5
     139.0       4.8
     141.0       3.6
     150.0       1.3
     151.0       4.6
     152.0      22.8
     153.0      12.1
     154.0      10.8
     155.0      26.6
     156.0       3.5
     163.0       3.0
     164.0       3.8
     165.0     100.0
     166.0      21.1
     167.0      14.5
     168.0       2.7
     169.0      10.2
     170.0       1.5
     176.0       2.3
     177.0       2.1
     178.0      15.7
     179.0      38.4
     180.0      71.1
     181.0      12.4
     182.0       2.0
     183.0      11.6
     184.0       1.7
     196.0       1.3
     197.0       1.9
     198.0      69.4
     199.0      10.5

in DMSO-d6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₄ O	0.038 g : 0.5 ml CDCl₃
(2-methyl-3-biphenylyl)methanol

    Assign.     Shift(ppm)

      A             7.39
      B             7.37
      C             7.336
      D             7.279
      E             7.237
      F             7.188
      G             4.729
      J             2.215
      K             1.94

     Hz     ppm     Int.

   2965.45   7.421     69
   2964.11   7.417    123
   2962.52   7.413     57
   2959.11   7.405     82
   2957.28   7.400    272
   2955.69   7.396    184
   2953.49   7.391     41
   2951.17   7.385    134
   2949.83   7.382    329
   2948.97   7.379    256
   2941.77   7.361    122
   2940.67   7.359    126
   2938.72   7.354     95
   2937.26   7.350    158
   2935.79   7.346    109
   2932.37   7.338     58
   2929.81   7.331    153
   2927.25   7.325     48
   2924.07   7.317     39
   2922.61   7.313     59
   2921.14   7.310     33
   2913.09   7.290    274
   2911.50   7.286    362
   2909.30   7.280     91
   2906.37   7.273    130
   2904.79   7.269    238
   2903.44   7.265    182
   2900.88   7.259     89
   2893.07   7.240    165
   2876.22   7.197    145
   2874.76   7.194    152
   2868.53   7.178     78
   2867.19   7.175     71
   1890.26   4.730    463
    885.50   2.216   1000
    776.98   1.945     85

in DMSO-d6

in CDCl3