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Back ChemicalBook Home>CAS DataBase List>118-55-8More Spectrum> Phenyl salicylate(118-55-8) IR3

Phenyl salicylate(118-55-8) IR3

Product NamePhenyl salicylate

CAS118-55-8

Molecular FormulaC13H10O3

Molecular Weight214.22

InChIInChI=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

SmilesC(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
    ChemicalStructure
        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



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



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