Benzyl salicylate(118-58-1) MS
Product NameBenzyl salicylate
CAS118-58-1
Molecular FormulaC14H12O3
Molecular Weight228.24
InChIInChI=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
SmilesC(OCC1=CC=CC=C1)(=O)C1=CC=CC=C1O
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MassMS-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
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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
CCl4 solution
liquid film
4880 A,200 M,liquid
