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N-[4-Chloro-3-nitrophenyl]-3,4-dichlorobenzylamine

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

N-[4-Chloro-3-nitrophenyl]-3,4-dichlorobenzylamine
SpectraBase Compound ID LrlQwu5JKs1
InChI InChI=1S/C13H9Cl3N2O2/c14-9-2-4-12(13(6-9)18(19)20)17-7-8-1-3-10(15)11(16)5-8/h1-6,17H,7H2
InChIKey WLYBZIPSSCPPAP-UHFFFAOYSA-N
Mol Weight 331.59 g/mol
Molecular Formula C13H9Cl3N2O2
Exact Mass 329.972961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8HKhtTz4NRf
Name N-[4-Chloro-3-nitrophenyl]-3,4-dichlorobenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.972960636 u
Formula C13H9Cl3N2O2
InChI InChI=1S/C13H9Cl3N2O2/c14-9-2-4-12(13(6-9)18(19)20)17-7-8-1-3-10(15)11(16)5-8/h1-6,17H,7H2
InChIKey WLYBZIPSSCPPAP-UHFFFAOYSA-N
Molecular Weight 331.586 g/mol
SMILES C(NC1=CC=C(Cl)C=C1N(=O)=O)C1=CC(=C(C=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822124