| SpectraBase Spectrum ID |
ChDBGIgzcm |
| Name |
1,3-Benzenediol, 5-methyl-, dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.104858991 u |
| Formula |
C21H16O4 |
| InChI |
InChI=1S/C21H16O4/c1-15-12-18(24-20(22)16-8-4-2-5-9-16)14-19(13-15)25-21(23)17-10-6-3-7-11-17/h2-14H,1H3 |
| InChIKey |
AUQZHPLWIXEVCC-UHFFFAOYSA-N |
| Molecular Weight |
332.355 g/mol |
| SMILES |
CC1=CC(OC(=O)C2=CC=CC=C2)=CC(=C1)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937378 |
