| SpectraBase Spectrum ID |
4LLqhGIxhGI |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-2-14-23-19(21)17-12-6-7-13-18(17)20(22)24-15-8-11-16-9-4-3-5-10-16/h3-7,9-10,17-18H,2,8,11-15H2,1H3 |
| InChIKey |
AMPYILGTSIGMAA-UHFFFAOYSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93006 |
