| SpectraBase Spectrum ID |
LyQLSAoOCAT |
| Name |
1,2-Benzenediol, o,o'-di(4-methoxybenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.110338294 u |
| Formula |
C22H18O6 |
| InChI |
InChI=1S/C22H18O6/c1-25-17-11-7-15(8-12-17)21(23)27-19-5-3-4-6-20(19)28-22(24)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3 |
| InChIKey |
QMDNOSCZOGOBEX-UHFFFAOYSA-N |
| Molecular Weight |
378.380 g/mol |
| SMILES |
COC1=CC=C(C(OC=2C(=CC=CC2)OC(C2=CC=C(OC)C=C2)=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903389 |
