| SpectraBase Spectrum ID |
2zQoWNn4Ozu |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3 |
| InChIKey |
HSSYHHDKGGGDJV-UHFFFAOYSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852477 |
