| SpectraBase Compound ID | 3L5yDL9MdJA |
|---|---|
| InChI | InChI=1S/C7H14S/c1-4-6-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | QLCUOCVKHIAUIL-UHFFFAOYSA-N |
| Mol Weight | 130.25 g/mol |
| Molecular Formula | C7H14S |
| Exact Mass | 130.081622 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KDXMr11Sm5P |
|---|---|
| Name | Allyl sec-butyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.081621625 u |
| Formula | C7H14S |
| InChI | InChI=1S/C7H14S/c1-4-6-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | QLCUOCVKHIAUIL-UHFFFAOYSA-N |
| Molecular Weight | 130.249 g/mol |
| SMILES | CCC(SCC=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.953077 |