| SpectraBase Spectrum ID |
9Gwm51wmZma |
| Name |
1,2-Benzenediol, o-(acethoxyacetyl)-o'-((phenylthio)acetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.066759403 u |
| Formula |
C18H16O6S |
| InChI |
InChI=1S/C18H16O6S/c1-13(19)22-11-17(20)23-15-9-5-6-10-16(15)24-18(21)12-25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3 |
| InChIKey |
VMWFWQGFNCBGTM-UHFFFAOYSA-N |
| Molecular Weight |
360.380 g/mol |
| SMILES |
C1(=CC=CC=C1OC(CSC1=CC=CC=C1)=O)OC(COC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974153 |
