| SpectraBase Compound ID | 1TKeMB7ZGvV |
|---|---|
| InChI | InChI=1S/C9H16S/c1-3-4-5-6-7-8-9-10-2/h3,8-9H,1,4-7H2,2H3/b9-8+ |
| InChIKey | NCZAQONKNMOGCC-CMDGGOBGSA-N |
| Mol Weight | 156.29 g/mol |
| Molecular Formula | C9H16S |
| Exact Mass | 156.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L6yrEqq49CM |
|---|---|
| Name | 1,7-Octadiene, 1-(methylthio)-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.097271689 u |
| Formula | C9H16S |
| InChI | InChI=1S/C9H16S/c1-3-4-5-6-7-8-9-10-2/h3,8-9H,1,4-7H2,2H3/b9-8+ |
| InChIKey | NCZAQONKNMOGCC-CMDGGOBGSA-N |
| Molecular Weight | 156.287 g/mol |
| SMILES | C(\C=C\SC)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921202 |