| SpectraBase Compound ID | 1oRsf1PsJvn |
|---|---|
| InChI | InChI=1S/C11H12O2S/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | DSFPGXCOEQVSOS-UHFFFAOYSA-N |
| Mol Weight | 208.27 g/mol |
| Molecular Formula | C11H12O2S |
| Exact Mass | 208.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6kZqv5kfxpZ |
|---|---|
| Name | S-Methyl 3-oxo-3-(p-tolyl)propanethioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.055800798 u |
| Formula | C11H12O2S |
| InChI | InChI=1S/C11H12O2S/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | DSFPGXCOEQVSOS-UHFFFAOYSA-N |
| Molecular Weight | 208.275 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)C)=O)C(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927691 |