| SpectraBase Compound ID | C4Crlmk50iq |
|---|---|
| InChI | InChI=1S/C9H18S/c1-5-7-9(3,4)10-8-6-2/h6H,2,5,7-8H2,1,3-4H3 |
| InChIKey | NQHRYJIDLSXXMG-UHFFFAOYSA-N |
| Mol Weight | 158.3 g/mol |
| Molecular Formula | C9H18S |
| Exact Mass | 158.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Io5ksdBTsM6 |
|---|---|
| Name | 1,1-Dimethylbutyl(prop-2-enyl)sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.112921754 u |
| Formula | C9H18S |
| InChI | InChI=1S/C9H18S/c1-5-7-9(3,4)10-8-6-2/h6H,2,5,7-8H2,1,3-4H3 |
| InChIKey | NQHRYJIDLSXXMG-UHFFFAOYSA-N |
| Molecular Weight | 158.303 g/mol |
| SMILES | CCCC(C)(C)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880913 |