| SpectraBase Spectrum ID |
EVpAvYh1xwV |
| Name |
1,2-Benzenediol, o,o'-di(3-methylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.120509056 u |
| Formula |
C22H18O4 |
| InChI |
InChI=1S/C22H18O4/c1-15-7-5-9-17(13-15)21(23)25-19-11-3-4-12-20(19)26-22(24)18-10-6-8-16(2)14-18/h3-14H,1-2H3 |
| InChIKey |
SHEMVNINUQUWOM-UHFFFAOYSA-N |
| Molecular Weight |
346.382 g/mol |
| SMILES |
CC1=CC=CC(=C1)C(OC=1C(=CC=CC1)OC(C=1C=CC=C(C)C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803889 |
