| SpectraBase Spectrum ID |
133gzeADcAZ |
| Name |
Benzoic acid, 4-[2-(4-benzyloxyphenyl)vinyl]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.156894565 u |
| Formula |
C24H22O3 |
| InChI |
InChI=1S/C24H22O3/c1-2-26-24(25)22-14-10-19(11-15-22)8-9-20-12-16-23(17-13-20)27-18-21-6-4-3-5-7-21/h3-17H,2,18H2,1H3/b9-8+ |
| InChIKey |
QJXNFUHUXSWSHU-CMDGGOBGSA-N |
| Molecular Weight |
358.437 g/mol |
| SMILES |
C1=CC(COC2=CC=C(\C=C\C3=CC=C(C(OCC)=O)C=C3)C=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918952 |
![Benzoic acid, 4-[2-(4-benzyloxyphenyl)vinyl]-, ethyl ester](/api/spectrum/133gzeADcAZ/structure.png?h=300&w=458 "Benzoic acid, 4-[2-(4-benzyloxyphenyl)vinyl]-, ethyl ester")
