| SpectraBase Compound ID | 2LcxptPTDfc |
|---|---|
| InChI | InChI=1S/C10H20S/c1-3-5-6-9-7-8-11-10(9)4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1 |
| InChIKey | HKDCMVQCJNRDIY-NXEZZACHSA-N |
| Mol Weight | 172.33 g/mol |
| Molecular Formula | C10H20S |
| Exact Mass | 172.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5PALtrBUSoJ |
|---|---|
| Name | cis-3-N-Butyl-2-ethylthiophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.128571818 u |
| Formula | C10H20S |
| InChI | InChI=1S/C10H20S/c1-3-5-6-9-7-8-11-10(9)4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1 |
| InChIKey | HKDCMVQCJNRDIY-NXEZZACHSA-N |
| Molecular Weight | 172.330 g/mol |
| SMILES | C1S[C@@]([C@@](C1)(CCCC)[H])(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888179 |