| SpectraBase Compound ID | 60EgMfI4IkW |
|---|---|
| InChI | InChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+ |
| InChIKey | JQGXRGOLGYEZNV-SNAWJCMRSA-N |
| Mol Weight | 116.22 g/mol |
| Molecular Formula | C6H12S |
| Exact Mass | 116.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OUxFHBlp2e |
|---|---|
| Name | Sulfide, methyl 1-methyl-2-butenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.065971560 u |
| Formula | C6H12S |
| InChI | InChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+ |
| InChIKey | JQGXRGOLGYEZNV-SNAWJCMRSA-N |
| Molecular Weight | 116.222 g/mol |
| SMILES | C\C=C\C(C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975992 |