| SpectraBase Compound ID | B4osXUE3eFK |
|---|---|
| InChI | InChI=1S/C7H15ClS/c1-3-4-5-9-6-7(2)8/h7H,3-6H2,1-2H3 |
| InChIKey | NPDKMTONMCZHQW-UHFFFAOYSA-N |
| Mol Weight | 166.71 g/mol |
| Molecular Formula | C7H15ClS |
| Exact Mass | 166.058299 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4mmH93KPl8F |
|---|---|
| Name | N-Butyl-2-chloropropyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.058299357 u |
| Formula | C7H15ClS |
| InChI | InChI=1S/C7H15ClS/c1-3-4-5-9-6-7(2)8/h7H,3-6H2,1-2H3 |
| InChIKey | NPDKMTONMCZHQW-UHFFFAOYSA-N |
| Molecular Weight | 166.710 g/mol |
| SMILES | C(SCCCC)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980644 |