Product NameBenzyl cinnamate
CAS103-41-3
Molecular FormulaC16H14O2
Molecular Weight238.28
InChIInChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2
InChIKey NGHOLYJTSCBCGC-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)C=CC1=CC=CC=C1

Mass
MS-NW-2300 benzyl trans-cinnamate C16H14O2 (Mass of molecular ion: 238)
Source Temperature: 300 °C Sample Temperature: 170 °C Reservoir, 75 eV
17.0 3.2
18.0 14.9
27.0 1.9
28.0 1.4
38.0 1.2
39.0 7.0
41.0 1.9
44.0 4.1
50.0 4.9
51.0 15.0
52.0 3.1
62.0 1.3
63.0 4.8
64.0 1.2
65.0 13.2
69.0 1.0
74.0 2.0
75.0 2.2
76.0 3.4
77.0 30.3
78.0 4.9
79.0 5.3
89.0 5.3
90.0 5.8
91.0 100.0
92.0 10.0
94.0 1.8
102.0 7.8
103.0 36.4
104.0 16.6
105.0 4.2
106.0 1.8
107.0 6.0
115.0 14.3
116.0 5.1
117.0 1.6
130.0 1.3
131.0 91.4
132.0 12.8
133.0 1.1
147.0 8.6
148.0 2.8
160.0 2.5
165.0 1.6
167.0 1.4
178.0 7.4
179.0 5.5
180.0 1.0
191.0 3.0
192.0 45.7
193.0 47.2
194.0 12.5
195.0 1.6
219.0 1.4
220.0 6.0
221.0 1.2
238.0 19.3
239.0 3.4
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C16 H14 O2 | 0.044 g : 0.5 ml CDCl3 |
| benzyl trans-cinnamate | |
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Assign. Shift(ppm) |
Hz ppm Int.
700.31 7.820 166
684.31 7.641 219
678.25 7.574 51
675.88 7.547 59
675.13 7.539 78
674.69 7.534 81
673.38 7.519 75
671.94 7.503 103
671.13 7.494 112
669.25 7.473 123
668.06 7.460 245
665.06 7.426 184
664.63 7.422 183
661.50 7.387 885
660.50 7.375 1000
658.94 7.358 357
658.38 7.352 394
656.06 7.326 123
654.94 7.313 221
653.06 7.292 69
651.50 7.275 34
587.75 6.563 448
571.75 6.384 337
469.81 5.246 872
in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

Benzyl cinnamate(103-41-3) Raman Atlas of Related Products
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