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p-Chloro-beta-(m-chloroanilino)atroponitrile

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

p-Chloro-beta-(m-chloroanilino)atroponitrile
SpectraBase Compound ID Ji5urLQBhGP
InChI InChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H
InChIKey PCXPCVIOGVMYBD-UHFFFAOYSA-N
Mol Weight 289.16 g/mol
Molecular Formula C15H10Cl2N2
Exact Mass 288.022104 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID C9IVL8FN7EA
Name p-Chloro-beta-(m-chloroanilino)atroponitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.022103730 u
Formula C15H10Cl2N2
InChI InChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H
InChIKey PCXPCVIOGVMYBD-UHFFFAOYSA-N
Molecular Weight 289.165 g/mol
SMILES N(C=C(C=1C=CC(=CC1)Cl)C#N)C=1C=C(C=CC1)Cl
Spectrum/Structure Validation Score (Raman) 0.92122