| SpectraBase Spectrum ID |
JhqWdtNJWq1 |
| Name |
1-Phenylcyclohexa-2,5-diene-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.083729624 u |
| Formula |
C13H12O2 |
| InChI |
InChI=1S/C13H12O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-10H,2H2,(H,14,15) |
| InChIKey |
PIFFRUPUXWILBW-UHFFFAOYSA-N |
| Molecular Weight |
200.237 g/mol |
| SMILES |
C1(C=CCC=C1)(C(=O)O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95815 |
