Debug Info

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N,N-Bis(3-trifluoromethylbenzyl)-4-chlorobenzylamine
SpectraBase Compound ID 5SJnwyUdwbc
InChI InChI=1S/C23H18ClF6N/c24-21-9-7-16(8-10-21)13-31(14-17-3-1-5-19(11-17)22(25,26)27)15-18-4-2-6-20(12-18)23(28,29)30/h1-12H,13-15H2
InChIKey VQWGWBIBPLLDBK-UHFFFAOYSA-N
Mol Weight 457.85 g/mol
Molecular Formula C23H18ClF6N
Exact Mass 457.103196 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH3ZcumjFXk
Name N,N-Bis(3-trifluoromethylbenzyl)-4-chlorobenzylamine
Classification Chemical
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 457.103196262 u
Formula C23H18ClF6N
InChI InChI=1S/C23H18ClF6N/c24-21-9-7-16(8-10-21)13-31(14-17-3-1-5-19(11-17)22(25,26)27)15-18-4-2-6-20(12-18)23(28,29)30/h1-12H,13-15H2
InChIKey VQWGWBIBPLLDBK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 457.847 g/mol
Nominal Mass 457 u
Quality 975
Retention Index 2349
SMILES C(C=1C=C(CN(CC2=CC=C(C=C2)Cl)CC=2C=C(C(F)(F)F)C=CC2)C=CC1)(F)(F)F
SPLASH splash10-056r-1913200000-95e90d6e5247a34e3184
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (4-chlorophenyl)-N,N-bis(3-(trifluoromethyl)benzyl)methanamine
Technique GC/MS
Wiley ID DD2024_019998
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