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2-(4-Chloroanilino)-4-(N-methylanilino)-cyclopent-2-enone

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

2-(4-Chloroanilino)-4-(N-methylanilino)-cyclopent-2-enone
SpectraBase Compound ID 3DzFhjhvDie
InChI InChI=1S/C18H17ClN2O/c1-21(15-5-3-2-4-6-15)16-11-17(18(22)12-16)20-14-9-7-13(19)8-10-14/h2-11,16,20H,12H2,1H3
InChIKey PLSFVMDXZGWEHH-UHFFFAOYSA-N
Mol Weight 312.8 g/mol
Molecular Formula C18H17ClN2O
Exact Mass 312.102941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID XiedZ10pfn
Name 2-(4-Chloroanilino)-4-(N-methylanilino)-cyclopent-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.102940874 u
Formula C18H17ClN2O
InChI InChI=1S/C18H17ClN2O/c1-21(15-5-3-2-4-6-15)16-11-17(18(22)12-16)20-14-9-7-13(19)8-10-14/h2-11,16,20H,12H2,1H3
InChIKey PLSFVMDXZGWEHH-UHFFFAOYSA-N
Molecular Weight 312.800 g/mol
SMILES C1C(C=C(C1=O)NC1=CC=C(C=C1)Cl)N(C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887559