| SpectraBase Compound ID | F5nbBRpolyT |
|---|---|
| InChI | InChI=1S/C4H9ClS/c1-2-3-6-4-5/h2-4H2,1H3 |
| InChIKey | IUPCBPIYSNBNMR-UHFFFAOYSA-N |
| Mol Weight | 124.63 g/mol |
| Molecular Formula | C4H9ClS |
| Exact Mass | 124.011349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9wcdyKDUITK |
|---|---|
| Name | Chloromethyl N-propyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.011349164 u |
| Formula | C4H9ClS |
| InChI | InChI=1S/C4H9ClS/c1-2-3-6-4-5/h2-4H2,1H3 |
| InChIKey | IUPCBPIYSNBNMR-UHFFFAOYSA-N |
| Molecular Weight | 124.629 g/mol |
| SMILES | C(Cl)SCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941497 |