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6-hexyl-2-methyl-N-(quinolin-8-yl)-3-(trifluoromethyl)benzamide
SpectraBase Compound ID IEgRRwpzjZR
InChI InChI=1S/C24H25F3N2O/c1-3-4-5-6-9-17-13-14-19(24(25,26)27)16(2)21(17)23(30)29-20-12-7-10-18-11-8-15-28-22(18)20/h7-8,10-15H,3-6,9H2,1-2H3,(H,29,30)
InChIKey FLOYQAHFXQHGMW-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C24H25F3N2O
Exact Mass 414.191898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cRBQbwBJ1g
Name 6-hexyl-2-methyl-N-(quinolin-8-yl)-3-(trifluoromethyl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25F3N2O
InChI InChI=1S/C24H25F3N2O/c1-3-4-5-6-9-17-13-14-19(24(25,26)27)16(2)21(17)23(30)29-20-12-7-10-18-11-8-15-28-22(18)20/h7-8,10-15H,3-6,9H2,1-2H3,(H,29,30)
InChIKey FLOYQAHFXQHGMW-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 414.472 g/mol
Quality 135
Reported Formula C24H25F3N2O
SMILES N(C(C1=C(C(=CC=C1CCCCCC)C(F)(F)F)C)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-03mi-0390200000-76100608cebb957e7578
Sample Comments linear:branched = 71:29
Source of Spectrum QE-25-SM14-2l-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.40 (hexane/EtOAc, 10:1)
Wiley ID 1891489