| SpectraBase Compound ID | BUlP8yj2PNb |
|---|---|
| InChI | InChI=1S/C12H14S/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8+ |
| InChIKey | KGVNKOPLOKVUBC-CMDGGOBGSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C12H14S |
| Exact Mass | 190.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8w4O1nMV7Sw |
|---|---|
| Name | 3-Methyl-1(E)-3butadienyl benzyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.081621625 u |
| Formula | C12H14S |
| InChI | InChI=1S/C12H14S/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8+ |
| InChIKey | KGVNKOPLOKVUBC-CMDGGOBGSA-N |
| Molecular Weight | 190.304 g/mol |
| SMILES | C(\C=C\SCC1=CC=CC=C1)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876412 |