| SpectraBase Compound ID | Hh2gDAIDE5c |
|---|---|
| InChI | InChI=1S/C4H4ClN/c1-4(5)2-3-6/h1-2H2 |
| InChIKey | OLUOHHXYBBNVPD-UHFFFAOYSA-N |
| Mol Weight | 101.54 g/mol |
| Molecular Formula | C4H4ClN |
| Exact Mass | 101.003227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5SoaFJOuRMC |
|---|---|
| Name | 3-Butenenitrile, 3-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.003226833 u |
| Formula | C4H4ClN |
| InChI | InChI=1S/C4H4ClN/c1-4(5)2-3-6/h1-2H2 |
| InChIKey | OLUOHHXYBBNVPD-UHFFFAOYSA-N |
| Molecular Weight | 101.536 g/mol |
| SMILES | C=C(Cl)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839935 |