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N-Hexyl-4-(trifluoromethyl)aniline
SpectraBase Compound ID BegaXidUodM
InChI InChI=1S/C13H18F3N/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14,15)16/h6-9,17H,2-5,10H2,1H3
InChIKey SYZDLYUUHVYZRR-UHFFFAOYSA-N
Mol Weight 245.29 g/mol
Molecular Formula C13H18F3N
Exact Mass 245.139134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0LL7gGBj4J
Name N-Hexyl-4-(trifluoromethyl)aniline
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.139134073 u
Formula C13H18F3N
GC Column Varian (25 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C13H18F3N/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14,15)16/h6-9,17H,2-5,10H2,1H3
InChIKey SYZDLYUUHVYZRR-UHFFFAOYSA-N
Instrument Name Thermo Scientific ITQ 700 GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.joc.2c01964
Molecular Weight 245.289 g/mol
Quality 52
SMILES N(CCCCCC)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-00di-0920000000-c296caabf6134057909a
Source of Spectrum JOC-88-680-4k (DOI: 10.1021/acs.joc.2c01964)
Wiley ID 1912605