| SpectraBase Compound ID | 2ePIZ0BqCrE |
|---|---|
| InChI | InChI=1S/C11H12OS2/c1-3-10(14-11(12)13-2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3 |
| InChIKey | XNTVPSJZXVBEQP-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C11H12OS2 |
| Exact Mass | 224.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5E4yTeAuOUo |
|---|---|
| Name | (Methylthio)-(1-phenylallylthio)methanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.032957353 u |
| Formula | C11H12OS2 |
| InChI | InChI=1S/C11H12OS2/c1-3-10(14-11(12)13-2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3 |
| InChIKey | XNTVPSJZXVBEQP-UHFFFAOYSA-N |
| Molecular Weight | 224.336 g/mol |
| SMILES | C(SC(C=C)C1=CC=CC=C1)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91168 |