| SpectraBase Compound ID | CH6BEEDpjZI |
|---|---|
| InChI | InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | BUTWIHUHJUAXAB-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C12H14OS |
| Exact Mass | 206.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88faaYN8yvg |
|---|---|
| Name | Phenylthio 4-methylpent-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.076536244 u |
| Formula | C12H14OS |
| InChI | InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | BUTWIHUHJUAXAB-UHFFFAOYSA-N |
| Molecular Weight | 206.303 g/mol |
| SMILES | C1(=CC=CC=C1)SC(CC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953448 |