| SpectraBase Spectrum ID |
5eMWysHdrPx |
| Name |
4-(Cyclopent-1-enyl)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-15-13(14)12-8-6-11(7-9-12)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3 |
| InChIKey |
YWAFYGMTDMNHII-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C(C1=CC=C(C2=CCCC2)C=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875493 |
