| SpectraBase Compound ID | LtgtGJbz6lf |
|---|---|
| InChI | InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-4-3-5-9(6-8)14-2/h3-6H,1-2H3 |
| InChIKey | JUMJEIOMDCUGLT-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C10H10O3S |
| Exact Mass | 210.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1aH6F3y0jAQ |
|---|---|
| Name | 3-(Methylthio)benzoic acetic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.035065353 u |
| Formula | C10H10O3S |
| InChI | InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-4-3-5-9(6-8)14-2/h3-6H,1-2H3 |
| InChIKey | JUMJEIOMDCUGLT-UHFFFAOYSA-N |
| Molecular Weight | 210.247 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(C)=O)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929673 |