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N,N-Bis-(3-trifluoromethylbenzyl)-4chloroaniline
SpectraBase Compound ID BCY110w0DZU
InChI InChI=1S/C22H16ClF6N/c23-19-7-9-20(10-8-19)30(13-15-3-1-5-17(11-15)21(24,25)26)14-16-4-2-6-18(12-16)22(27,28)29/h1-12H,13-14H2
InChIKey ADTOYBWBHIMZHC-UHFFFAOYSA-N
Mol Weight 443.82 g/mol
Molecular Formula C22H16ClF6N
Exact Mass 443.087546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFgOSU6JwbQ
Name N,N-Bis-(3-trifluoromethylbenzyl)-4chloroaniline
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 443.087546197 u
Formula C22H16ClF6N
InChI InChI=1S/C22H16ClF6N/c23-19-7-9-20(10-8-19)30(13-15-3-1-5-17(11-15)21(24,25)26)14-16-4-2-6-18(12-16)22(27,28)29/h1-12H,13-14H2
InChIKey ADTOYBWBHIMZHC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 443.820 g/mol
Nominal Mass 443 u
Quality 1000
Retention Index 2361
SMILES C=1(N(CC=2C=C(C(F)(F)F)C=CC2)CC=2C=C(C(F)(F)F)C=CC2)C=CC(=CC1)Cl
SPLASH splash10-0a4i-0940200000-f40195623b64e2c00428
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-chloro-N,N-bis(3-(trifluoromethyl)benzyl)aniline
Technique GC/MS
Wiley ID DD2024_025775