| SpectraBase Compound ID | 2JEvN0GHAr8 |
|---|---|
| InChI | InChI=1S/C11H18OS/c1-3-5-6-7-8-9-10-11(12)13-4-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+ |
| InChIKey | OUQHYRUZZWFPGK-XBLVEGMJSA-N |
| Mol Weight | 198.32 g/mol |
| Molecular Formula | C11H18OS |
| Exact Mass | 198.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7TaG3snxXLE |
|---|---|
| Name | (2E,4E)-S-Ethyl nona-2,4-dienethioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.107836373 u |
| Formula | C11H18OS |
| InChI | InChI=1S/C11H18OS/c1-3-5-6-7-8-9-10-11(12)13-4-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+ |
| InChIKey | OUQHYRUZZWFPGK-XBLVEGMJSA-N |
| Molecular Weight | 198.324 g/mol |
| SMILES | C(\C=C\C=C\CCCC)(=O)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866503 |