| SpectraBase Compound ID | JNGmGsWFvcD |
|---|---|
| InChI | InChI=1S/C8H16S/c1-6(2)5-8(9)7(3)4/h7-9H,1,5H2,2-4H3 |
| InChIKey | SWCGRZLORJZRKX-UHFFFAOYSA-N |
| Mol Weight | 144.28 g/mol |
| Molecular Formula | C8H16S |
| Exact Mass | 144.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E0b8Il3NuE |
|---|---|
| Name | 2,5-Dimethyl-4-mercaptohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.097271689 u |
| Formula | C8H16S |
| InChI | InChI=1S/C8H16S/c1-6(2)5-8(9)7(3)4/h7-9H,1,5H2,2-4H3 |
| InChIKey | SWCGRZLORJZRKX-UHFFFAOYSA-N |
| Molecular Weight | 144.276 g/mol |
| SMILES | C(CC(=C)C)(S)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938119 |