| SpectraBase Compound ID | GV6ZzVbxhq1 |
|---|---|
| InChI | InChI=1S/C8H14OS/c1-5-10(9)7-6-8(2,3)4/h5H2,1-4H3 |
| InChIKey | LWJZNISJSOYINO-UHFFFAOYSA-N |
| Mol Weight | 158.26 g/mol |
| Molecular Formula | C8H14OS |
| Exact Mass | 158.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4D7BCUUiDwp |
|---|---|
| Name | 1-(Ethylsulfinyl)-3,3-dimethylbut-1-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.076536244 u |
| Formula | C8H14OS |
| InChI | InChI=1S/C8H14OS/c1-5-10(9)7-6-8(2,3)4/h5H2,1-4H3 |
| InChIKey | LWJZNISJSOYINO-UHFFFAOYSA-N |
| SMILES | C(#CC(C)(C)C)S(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823669 |