| SpectraBase Compound ID | Ex5vIj156md |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-9-7-11(8-13(9)12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
| InChIKey | QKZYISHUBWSNQW-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5UMCpfgwDcH |
|---|---|
| Name | 2-Methyl-4-phenylthiolane, 1-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-9-7-11(8-13(9)12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
| InChIKey | QKZYISHUBWSNQW-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C1=CC=CC=C1C1CS(C(C)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942741 |