| SpectraBase Compound ID | 2dfR0ssw2wM |
|---|---|
| InChI | InChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| InChIKey | ZXQUDAMFLBJUIK-DHZHZOJOSA-N |
| Mol Weight | 184.34 g/mol |
| Molecular Formula | C11H20S |
| Exact Mass | 184.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 26YcNWzv8NO |
|---|---|
| Name | (E)-3,7-Dimethyl-1-methylsulfanyl-octa-2,6-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.128571818 u |
| Formula | C11H20S |
| InChI | InChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| InChIKey | ZXQUDAMFLBJUIK-DHZHZOJOSA-N |
| Molecular Weight | 184.341 g/mol |
| SMILES | C(=CCC\C(=C\CSC)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932186 |