| SpectraBase Spectrum ID |
5eM7xFU6lhk |
| Name |
4-(4-Benzoyloxybenzoyloxy)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.079038165 u |
| Formula |
C21H14O6 |
| InChI |
InChI=1S/C21H14O6/c22-19(23)14-6-10-17(11-7-14)27-21(25)16-8-12-18(13-9-16)26-20(24)15-4-2-1-3-5-15/h1-13H,(H,22,23) |
| InChIKey |
BNJWMPQAKRREDL-UHFFFAOYSA-N |
| Molecular Weight |
362.337 g/mol |
| SMILES |
C(OC1=CC=C(C=C1)C(O)=O)(=O)C1=CC=C(C=C1)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973021 |
