| SpectraBase Spectrum ID |
EiYBzTeCTHd |
| Name |
5-Phenyl-1-cyclopentenecarboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-2-16-14(15)13-10-6-9-12(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3 |
| InChIKey |
GJRUUBRBELXTTL-UHFFFAOYSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C=1(C(=O)OCC)C(C=2C=CC=CC2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975447 |
