| SpectraBase Compound ID | K9t0U45Rlzj |
|---|---|
| InChI | InChI=1S/C6H12S/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1 |
| InChIKey | FRXFKSPCPCSYJR-NTSWFWBYSA-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 | FiB6sWp2Eij |
|---|---|
| Name | cis-2-Methylcyclopentanethiol |
| 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/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1 |
| InChIKey | FRXFKSPCPCSYJR-NTSWFWBYSA-N |
| Molecular Weight | 116.222 g/mol |
| SMILES | [C@]1([C@](CCC1)(C)[H])(S)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876156 |