| SpectraBase Compound ID | FE2uDHmMpn0 |
|---|---|
| InChI | InChI=1S/C9H16O2S/c1-4-8(2)9(10)11-6-5-7-12-3/h4H,5-7H2,1-3H3/b8-4+ |
| InChIKey | VAVIFSWGBNULIX-XBXARRHUSA-N |
| Mol Weight | 188.28 g/mol |
| Molecular Formula | C9H16O2S |
| Exact Mass | 188.087101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BmfM9mjujAO |
|---|---|
| Name | 3-(Methylthio)propyl 2-methylbut-2-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.087100927 u |
| Formula | C9H16O2S |
| InChI | InChI=1S/C9H16O2S/c1-4-8(2)9(10)11-6-5-7-12-3/h4H,5-7H2,1-3H3/b8-4+ |
| InChIKey | VAVIFSWGBNULIX-XBXARRHUSA-N |
| Molecular Weight | 188.285 g/mol |
| SMILES | CSCCCOC(\C(=C\C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90995 |