| SpectraBase Compound ID | KVmwF5B4ZjL |
|---|---|
| InChI | InChI=1S/C5H8ClNS/c6-2-1-4-8-5-3-7/h1-2,4-5H2 |
| InChIKey | NDOTXYMVDPQFNO-UHFFFAOYSA-N |
| Mol Weight | 149.64 g/mol |
| Molecular Formula | C5H8ClNS |
| Exact Mass | 149.006598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATE6wVA6wEg |
|---|---|
| Name | 2-(3-Chloranylpropylsulfanyl)ethanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.006598136 u |
| Formula | C5H8ClNS |
| InChI | InChI=1S/C5H8ClNS/c6-2-1-4-8-5-3-7/h1-2,4-5H2 |
| InChIKey | NDOTXYMVDPQFNO-UHFFFAOYSA-N |
| Molecular Weight | 149.639 g/mol |
| SMILES | C(CSCCCCl)#N |