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3-Chloro-4-cyano-1-butene
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

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