| SpectraBase Spectrum ID |
JSBJ3EAhi6O |
| Name |
2-Methyl-6-phenylcyclohex-3-enecarboxylic acid |
| 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/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h2-8,10,12-13H,9H2,1H3,(H,15,16) |
| InChIKey |
YCJSYHUFGXEUCM-UHFFFAOYSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C1=CC(C(C(C1)C1=CC=CC=C1)C(O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949757 |
