| SpectraBase Spectrum ID |
ERIhjMSTpIu |
| Name |
1,3-Benzenediol, o-(2-chlorobenzoyl)-o'-(3-methylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.065886659 u |
| Formula |
C21H15ClO4 |
| InChI |
InChI=1S/C21H15ClO4/c1-14-6-4-7-15(12-14)20(23)25-16-8-5-9-17(13-16)26-21(24)18-10-2-3-11-19(18)22/h2-13H,1H3 |
| InChIKey |
LUFJKHLKNYPIHE-UHFFFAOYSA-N |
| Molecular Weight |
366.800 g/mol |
| SMILES |
C1(=CC=CC(=C1)OC(=O)C1=CC(C)=CC=C1)OC(C1=CC=CC=C1Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842745 |
