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N-(3-Trifluoromethylbenzyl)-2,4-dichlorobenzeneethanamine

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

N-(3-Trifluoromethylbenzyl)-2,4-dichlorobenzeneethanamine
SpectraBase Compound ID KLZ7acbGz2D
InChI InChI=1S/C16H14Cl2F3N/c17-14-5-4-12(15(18)9-14)6-7-22-10-11-2-1-3-13(8-11)16(19,20)21/h1-5,8-9,22H,6-7,10H2
InChIKey KSXPYQNGBZXMHA-UHFFFAOYSA-N
Mol Weight 348.2 g/mol
Molecular Formula C16H14Cl2F3N
Exact Mass 347.045539 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C3P6jOB2dsF
Name N-(3-Trifluoromethylbenzyl)-2,4-dichlorobenzeneethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.045539344 u
Formula C16H14Cl2F3N
InChI InChI=1S/C16H14Cl2F3N/c17-14-5-4-12(15(18)9-14)6-7-22-10-11-2-1-3-13(8-11)16(19,20)21/h1-5,8-9,22H,6-7,10H2
InChIKey KSXPYQNGBZXMHA-UHFFFAOYSA-N
Molecular Weight 348.196 g/mol
SMILES C(C1=CC(CNCCC=2C(=CC(=CC2)Cl)Cl)=CC=C1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875302