| SpectraBase Compound ID | JQT1uzRM855 |
|---|---|
| InChI | InChI=1S/C9H14S/c1-4-6-7-8-9(3)10-5-2/h8H,4-5H2,1-3H3/b9-8+ |
| InChIKey | TZRCBXMCSHAQLU-CMDGGOBGSA-N |
| Mol Weight | 154.27 g/mol |
| Molecular Formula | C9H14S |
| Exact Mass | 154.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | jQDVGaYvjq |
|---|---|
| Name | 1-Methyl-1-hexene-3-ynyl-ethylsulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.081621625 u |
| Formula | C9H14S |
| InChI | InChI=1S/C9H14S/c1-4-6-7-8-9(3)10-5-2/h8H,4-5H2,1-3H3/b9-8+ |
| InChIKey | TZRCBXMCSHAQLU-CMDGGOBGSA-N |
| Molecular Weight | 154.271 g/mol |
| SMILES | C(#CCC)\C=C/(SCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82027 |