118-58-1

柳酸芐酯(118-58-1)Raman光譜

產(chǎn)品名稱:柳酸芐酯

CAS:118-58-1

分子式:C14H12O3

分子量: 228.24

InChI:InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

InChIKey: ZCTQGTTXIYCGGC-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)C1=CC=CC=C1O

Mass

MS-NW-8487          
benzyl salicylate
C14H12O3            (Mass of molecular ion:    228)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      39.0       5.9
      51.0       1.9
      63.0       2.6
      64.0       1.5
      65.0      11.8
      77.0       1.4
      89.0       1.5
      91.0     100.0
      92.0       9.2
      93.0       1.5
     121.0       2.1
     228.0       6.3
     229.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
benzyl salicylate

    Assign.     Shift(ppm)

      A            10.74
      B             7.863
      C          7.46 to 7.32
      D             6.96
      E             6.86
      F             5.361
     
     J(B,D)=0.5HZ, J(B,E)=7.9HZ, J(D,E)=1.3HZ

     Hz     ppm     Int.

    962.24  10.745    600
    961.82  10.740    530
    960.36  10.724     36
    709.66   7.924    113
    709.23   7.920    108
    707.95   7.905    137
    707.43   7.899    117
    701.79   7.836    137
    701.37   7.832    130
    700.00   7.816    162
    674.45   7.531     57
    674.02   7.526     51
    672.66   7.511     60
    671.29   7.496     36
    669.49   7.476     66
    667.02   7.448    114
    665.56   7.432    178
    664.20   7.417    396
    662.66   7.400    755
    661.80   7.390    906
    658.98   7.358    325
    657.10   7.337    219
    654.20   7.305     80
    628.82   7.022    136
    628.31   7.016    158
    627.54   7.007    202
    620.45   6.928    244
    619.17   6.914    213
    613.35   6.849    127
    612.59   6.840    156
    611.30   6.826    106
    605.49   6.761     88
    604.21   6.747     78
    480.22   5.362   1000

in CDCl3