| SpectraBase Spectrum ID |
Hws6WF3ODJ7 |
| Name |
2-(3-Methylbenzoyl)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.078644243 u |
| Formula |
C15H12O3 |
| InChI |
InChI=1S/C15H12O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18) |
| InChIKey |
GVSLNMMHEAMXAJ-UHFFFAOYSA-N |
| Molecular Weight |
240.258 g/mol |
| SMILES |
CC=1C=CC=C(C1)C(C1=CC=CC=C1C(O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948721 |
