| SpectraBase Compound ID | JcclKB7gEog |
|---|---|
| InChI | InChI=1S/C6H14S/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3 |
| InChIKey | ABIKQXWLJOURPN-UHFFFAOYSA-N |
| Mol Weight | 118.24 g/mol |
| Molecular Formula | C6H14S |
| Exact Mass | 118.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IeXT4I0Gwu3 |
|---|---|
| Name | Isopentyl methyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.081621625 u |
| Formula | C6H14S |
| InChI | InChI=1S/C6H14S/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3 |
| InChIKey | ABIKQXWLJOURPN-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | CC(CCSC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905618 |