SpectraBase Compound ID | HduQ6dAzpI9 |
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InChI | InChI=1S/C5H11ClS/c1-2-4-7-5-3-6/h2-5H2,1H3 |
InChIKey | LAZDGCFXCRZCPW-UHFFFAOYSA-N |
Mol Weight | 138.66 g/mol |
Molecular Formula | C5H11ClS |
Exact Mass | 138.026999 g/mol |
SpectraBase Spectrum ID | BVi21scN8J8 |
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Name | 2-Chloroethyl N-propyl sulfide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.026999228 u |
Formula | C5H11ClS |
InChI | InChI=1S/C5H11ClS/c1-2-4-7-5-3-6/h2-5H2,1H3 |
InChIKey | LAZDGCFXCRZCPW-UHFFFAOYSA-N |
Molecular Weight | 138.656 g/mol |
SMILES | C(CSCCC)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873638 |