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 |
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 |