| SpectraBase Spectrum ID |
ClUJYlZdTB8 |
| Name |
Cinnamic acid cyclohex-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.115029753 u |
| Formula |
C15H16O2 |
| InChI |
InChI=1S/C15H16O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,11-12,14H,2,6,10H2/b12-11+ |
| InChIKey |
DBFDAPBUEDLXKG-VAWYXSNFSA-N |
| Molecular Weight |
228.291 g/mol |
| SMILES |
C=1(C=CC=CC1)\C=C\C(OC1CCCC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916518 |
