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Maononitrile, [A-propyl-4-chlorobenzylidene]-

View entire compound with spectra: 1 NMR, and 1 FTIR

Maononitrile, [A-propyl-4-chlorobenzylidene]-
SpectraBase Compound ID 2pR7h3MPy6p
InChI InChI=1S/C13H11ClN2/c1-2-3-13(11(8-15)9-16)10-4-6-12(14)7-5-10/h4-7H,2-3H2,1H3
InChIKey YRZQUANSXKTBIO-UHFFFAOYSA-N
Mol Weight 230.7 g/mol
Molecular Formula C13H11ClN2
Exact Mass 230.061076 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vIb3YqLwpY
Name Maononitrile, [A-propyl-4-chlorobenzylidene]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.061076062 u
Formula C13H11ClN2
InChI InChI=1S/C13H11ClN2/c1-2-3-13(11(8-15)9-16)10-4-6-12(14)7-5-10/h4-7H,2-3H2,1H3
InChIKey YRZQUANSXKTBIO-UHFFFAOYSA-N
Molecular Weight 230.698 g/mol
SMILES C(C1=CC=C(C=C1)Cl)(=C(C#N)C#N)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953813