| SpectraBase Spectrum ID |
50ZUpbXPxlx |
| Name |
2-(4'-Phenylbenzoyl)benzoic acid, o-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.109944372 u |
| Formula |
C21H16O3 |
| InChI |
InChI=1S/C21H16O3/c1-24-21(23)19-10-6-5-9-18(19)20(22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3 |
| InChIKey |
NZXBNZWOHZUTCT-UHFFFAOYSA-N |
| Molecular Weight |
316.356 g/mol |
| SMILES |
COC(C1=CC=CC=C1C(=O)C1=CC=C(C2=CC=CC=C2)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933169 |
