76-89-1

二苯乙醇酸甲酯(76-89-1)质谱(MS)

产品名称:二苯乙醇酸甲酯

CAS:76-89-1

分子式:C15H14O3

分子量: 242.27

InChI:InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3

InChIKey: LJFIHTFNTGQZJL-UHFFFAOYSA-N

Smiles:C(O)(C(=O)OC)(C1C=CC=CC=1)C1C=CC=CC=1

Mass

MS-NW-9407          
methyl diphenylglycolate
C15H14O3            (Mass of molecular ion:    242)

   Source Temperature: 150 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      15.0       1.0
      51.0       5.2
      76.0       2.0
      77.0      29.6
      78.0       2.6
      82.5       1.0
      91.0       1.0
     105.0      61.7
     106.0       4.9
     152.0       1.9
     153.0       1.1
     165.0       2.0
     181.0       1.7
     182.0       1.2
     183.0     100.0
     184.0      14.4
     185.0       1.1
     242.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₄ O₃	0.041 g : 0.5 ml CDCl₃
methyl diphenylglycolate

    Assign.     Shift(ppm)

      A             7.414
      B             7.33
      C             4.22
      D             3.831

     Hz     ppm     Int.

   2969.97   7.432     56
   2968.51   7.428    207
   2966.55   7.423    167
   2965.70   7.421    142
   2964.36   7.418    102
   2963.01   7.415    112
   2962.16   7.412    148
   2960.33   7.408    320
   2958.74   7.404    319
   2955.69   7.396     40
   2939.94   7.357     68
   2938.35   7.353     46
   2936.40   7.348    105
   2934.57   7.343     94
   2931.76   7.336    262
   2930.91   7.334    280
   2929.32   7.330    151
   2927.00   7.324    189
   2925.66   7.321    218
   2924.80   7.319    376
   2923.58   7.316    353
   2919.80   7.306     88
   2918.21   7.302     63
   1684.94   4.217    214
   1531.25   3.832   1000

in CDCl3