| SpectraBase Compound ID | 36dbtrtfYTo |
|---|---|
| InChI | InChI=1S/C5H6ClN/c1-2-5(6)3-4-7/h2,5H,1,3H2 |
| InChIKey | SFZVGWDSQMCREK-UHFFFAOYSA-N |
| Mol Weight | 115.56 g/mol |
| Molecular Formula | C5H6ClN |
| Exact Mass | 115.018877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EMacblWIEK6 |
|---|---|
| Name | 3-Chloro-4-cyano-1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.018876897 u |
| Formula | C5H6ClN |
| InChI | InChI=1S/C5H6ClN/c1-2-5(6)3-4-7/h2,5H,1,3H2 |
| InChIKey | SFZVGWDSQMCREK-UHFFFAOYSA-N |
| Molecular Weight | 115.563 g/mol |
| SMILES | C(#N)CC(C=C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94408 |