| SpectraBase Compound ID | 4UV2CWYsm7J |
|---|---|
| InChI | InChI=1S/C6H14S/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3 |
| InChIKey | ISUXQQTXICTKOV-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 | 3C3G0OUM823 |
|---|---|
| Name | 2-Pentanethiol, 2-methyl- |
| 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/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3 |
| InChIKey | ISUXQQTXICTKOV-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | C(C(C)(C)S)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851073 |