| SpectraBase Compound ID | BX2tRKorjX4 |
|---|---|
| InChI | InChI=1S/C12H12OS/c1-3-9-12(2,10-13)14-11-7-5-4-6-8-11/h4-10H,1H2,2H3 |
| InChIKey | WQASUHFZQGZIJB-UHFFFAOYSA-N |
| Mol Weight | 204.29 g/mol |
| Molecular Formula | C12H12OS |
| Exact Mass | 204.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4hRe3i67ETV |
|---|---|
| Name | 2-Methyl-2-(phenylthio)penta-3,4-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.060886179 u |
| Formula | C12H12OS |
| InChI | InChI=1S/C12H12OS/c1-3-9-12(2,10-13)14-11-7-5-4-6-8-11/h4-10H,1H2,2H3 |
| InChIKey | WQASUHFZQGZIJB-UHFFFAOYSA-N |
| Molecular Weight | 204.287 g/mol |
| SMILES | C(C)(C=O)(SC1=CC=CC=C1)C=C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932019 |