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1-Cyano-1-phenyl-1-(2-chloro-4-nitrophenyl)ethane

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Cyano-1-phenyl-1-(2-chloro-4-nitrophenyl)ethane
SpectraBase Compound ID 1GWI6LQ83Rf
InChI InChI=1S/C15H11ClN2O2/c1-15(10-17,11-5-3-2-4-6-11)13-8-7-12(18(19)20)9-14(13)16/h2-9H,1H3
InChIKey RZSVBIDGCOVEQH-UHFFFAOYSA-N
Mol Weight 286.72 g/mol
Molecular Formula C15H11ClN2O2
Exact Mass 286.050905 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FGpCQYEVcU7
Name 1-Cyano-1-phenyl-1-(2-chloro-4-nitrophenyl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.050905300 u
Formula C15H11ClN2O2
InChI InChI=1S/C15H11ClN2O2/c1-15(10-17,11-5-3-2-4-6-11)13-8-7-12(18(19)20)9-14(13)16/h2-9H,1H3
InChIKey RZSVBIDGCOVEQH-UHFFFAOYSA-N
SMILES C=1(N(=O)=O)C=C(Cl)C(C(C#N)(C=2C=CC=CC2)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82639