| SpectraBase Compound ID | CnMD12TYgcY |
|---|---|
| InChI | InChI=1S/C9H16S/c1-8(2)6-7-10-9(3,4)5/h6-7H,1H2,2-5H3/b7-6+ |
| InChIKey | HKZUACBNDWOVQN-VOTSOKGWSA-N |
| Mol Weight | 156.29 g/mol |
| Molecular Formula | C9H16S |
| Exact Mass | 156.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9p7kw1hoFJN |
|---|---|
| Name | 3-Methyl-1(E)-3-butadienyl tert-butyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.097271689 u |
| Formula | C9H16S |
| InChI | InChI=1S/C9H16S/c1-8(2)6-7-10-9(3,4)5/h6-7H,1H2,2-5H3/b7-6+ |
| InChIKey | HKZUACBNDWOVQN-VOTSOKGWSA-N |
| Molecular Weight | 156.287 g/mol |
| SMILES | C(\C=C\SC(C)(C)C)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974339 |