| SpectraBase Compound ID | CyVSh8niu2A |
|---|---|
| InChI | InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2 |
| InChIKey | GNHMRTZZNHZDDM-UHFFFAOYSA-N |
| Mol Weight | 89.52 g/mol |
| Molecular Formula | C3H4ClN |
| Exact Mass | 89.003227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KEKOMD3wH58 |
|---|---|
| Name | 3-Chloropropionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 89.003226833 u |
| Formula | C3H4ClN |
| InChI | InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2 |
| InChIKey | GNHMRTZZNHZDDM-UHFFFAOYSA-N |
| Molecular Weight | 89.525 g/mol |
| SMILES | C(Cl)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.974181 |