| SpectraBase Spectrum ID |
B34VVWMhCWW |
| Name |
Acetic 3-(acetylsulfanyl)benzoic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.029979972 u |
| Formula |
C11H10O4S |
| InChI |
InChI=1S/C11H10O4S/c1-7(12)15-11(14)9-4-3-5-10(6-9)16-8(2)13/h3-6H,1-2H3 |
| InChIKey |
MHOVADNDAZLWCF-UHFFFAOYSA-N |
| Molecular Weight |
238.257 g/mol |
| SMILES |
C1=C(C=CC=C1C(=O)OC(C)=O)SC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965453 |
