118-55-8

水楊酸苯酯(118-55-8)Raman光譜

產(chǎn)品名稱:水楊酸苯酯

CAS:118-55-8

分子式:C13H10O3

分子量: 214.22

InChI:InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H

InChIKey: ZQBAKBUEJOMQEX-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC=C1)(=O)C1=CC=CC=C1O

Mass

MS-NW-0679          
phenyl salicylate
C13H10O3            (Mass of molecular ion:    214)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      38.0       1.3
      39.0       8.2
      51.0       1.6
      53.0       1.3
      63.0       2.6
      64.0       2.3
      65.0      12.9
      66.0       1.3
      92.0       2.9
      93.0       9.4
      94.0       2.8
     120.0       2.4
     121.0     100.0
     122.0       7.8
     214.0      13.0
     215.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₀ O₃	0.050 g : 0.5 ml CDCl₃
phenyl salicylate

    Assign.     Shift(ppm)

      A            10.50
      B             8.067
      C             7.49
      D             7.43
      E             7.27
      F             7.20
      G             7.03
      J             6.96

     Hz     ppm     Int.

    940.28  10.499   1000
    939.86  10.495    884
    727.43   8.123    176
    726.92   8.117    166
    725.63   8.103    215
    725.21   8.098    185
    719.65   8.036    200
    719.06   8.029    194
    717.69   8.014    246
    717.26   8.009    208
    682.48   7.621     76
    682.06   7.616     67
    680.69   7.601     81
    680.26   7.596     73
    676.33   7.552     70
    675.48   7.543    111
    675.05   7.538    111
    673.94   7.526    234
    673.51   7.521    206
    672.23   7.506    161
    670.69   7.489     65
    670.09   7.483     54
    668.81   7.468    113
    668.04   7.460    311
    667.36   7.452    243
    666.93   7.447    219
    666.50   7.442    203
    666.08   7.438    171
    665.14   7.427    224
    664.71   7.422    264
    662.06   7.393    211
    660.35   7.374    522
    659.67   7.366    392
    658.39   7.352    243
    657.79   7.345    254
    656.25   7.328    294
    654.71   7.311     70
    652.23   7.283    218
    651.38   7.274    167
    649.16   7.249    472
    647.88   7.235    256
    647.02   7.225    450
    646.51   7.219    340
    644.54   7.197    120
    642.66   7.176    163
    640.70   7.154    244
    638.99   7.135    222
    634.29   7.083    160
    633.69   7.076    246
    633.01   7.069    347
    632.50   7.063    264
    630.19   7.037    272
    628.91   7.023    136
    625.74   6.987    162
    625.23   6.982    186
    624.46   6.973    216
    624.04   6.968    189
    623.18   6.959    222
    622.33   6.949    250
    621.04   6.935    170
    615.15   6.869    143
    613.95   6.856    128

in CDCl3