| SpectraBase Compound ID | 3lspCcA4VrX |
|---|---|
| InChI | InChI=1S/C9H10S2/c1-3-11-9-6-4-8(10-2)5-7-9/h3-7H,1H2,2H3 |
| InChIKey | GJRIEDCBPPZPTM-UHFFFAOYSA-N |
| Mol Weight | 182.3 g/mol |
| Molecular Formula | C9H10S2 |
| Exact Mass | 182.022393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GfbgogZPRge |
|---|---|
| Name | 4-(Methylthio)phenyl vinyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.022392670 u |
| Formula | C9H10S2 |
| InChI | InChI=1S/C9H10S2/c1-3-11-9-6-4-8(10-2)5-7-9/h3-7H,1H2,2H3 |
| InChIKey | GJRIEDCBPPZPTM-UHFFFAOYSA-N |
| Molecular Weight | 182.299 g/mol |
| SMILES | C(=C)SC=1C=CC(=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800645 |