| SpectraBase Compound ID | 5UhvvSBcWlR |
|---|---|
| InChI | InChI=1S/C9H14O2S/c1-3-11-9(10)7-5-4-6-8-12-2/h4-6,8H,3,7H2,1-2H3/b5-4+,8-6+ |
| InChIKey | VJXHQICDLBLCEI-DVBIZMGNSA-N |
| Mol Weight | 186.27 g/mol |
| Molecular Formula | C9H14O2S |
| Exact Mass | 186.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8oAuGFJsHlx |
|---|---|
| Name | Ethyl-6-methylthio-3E,5E-hexadienoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.071450863 u |
| Formula | C9H14O2S |
| InChI | InChI=1S/C9H14O2S/c1-3-11-9(10)7-5-4-6-8-12-2/h4-6,8H,3,7H2,1-2H3/b5-4+,8-6+ |
| InChIKey | VJXHQICDLBLCEI-DVBIZMGNSA-N |
| Molecular Weight | 186.269 g/mol |
| SMILES | C(=O)(C\C=C\C=C\SC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92186 |