| SpectraBase Compound ID | APiVM9xZzOn |
|---|---|
| InChI | InChI=1S/C12H14O3S/c1-9(15-10(2)13)12(14)8-16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 |
| InChIKey | ATXBBUJVWLXBJK-UHFFFAOYSA-N |
| Mol Weight | 238.3 g/mol |
| Molecular Formula | C12H14O3S |
| Exact Mass | 238.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ATvKMvycrDq |
|---|---|
| Name | 1-Phenylthio-3-acetoxy-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.066365482 u |
| Formula | C12H14O3S |
| InChI | InChI=1S/C12H14O3S/c1-9(15-10(2)13)12(14)8-16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 |
| InChIKey | ATXBBUJVWLXBJK-UHFFFAOYSA-N |
| Molecular Weight | 238.301 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(C(C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945463 |