| SpectraBase Spectrum ID |
7EagKmo9Pu8 |
| Name |
2-Cyclohexen-3-ol-1-one, 2-benzoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.078644243 u |
| Formula |
C13H12O3 |
| InChI |
InChI=1S/C13H12O3/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2 |
| InChIKey |
ZRAFFOXPOZNBEI-UHFFFAOYSA-N |
| Molecular Weight |
216.236 g/mol |
| SMILES |
C1CC(=C(C(C1)=O)C(C1=CC=CC=C1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975777 |
