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2-hexyl-N-(quinolin-8-yl)-6-(trifluoromethyl)benzamide
SpectraBase Compound ID 9J9TmP9OLDP
InChI InChI=1S/C23H23F3N2O/c1-2-3-4-5-9-16-10-6-13-18(23(24,25)26)20(16)22(29)28-19-14-7-11-17-12-8-15-27-21(17)19/h6-8,10-15H,2-5,9H2,1H3,(H,28,29)
InChIKey RSCWKEUWMZUISA-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C23H23F3N2O
Exact Mass 400.176248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3Euc2Lr6pr
Name 2-hexyl-N-(quinolin-8-yl)-6-(trifluoromethyl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.176247857 u
Formula C23H23F3N2O
InChI InChI=1S/C23H23F3N2O/c1-2-3-4-5-9-16-10-6-13-18(23(24,25)26)20(16)22(29)28-19-14-7-11-17-12-8-15-27-21(17)19/h6-8,10-15H,2-5,9H2,1H3,(H,28,29)
InChIKey RSCWKEUWMZUISA-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 400.445 g/mol
Quality 56
Reported Formula C23H23F3N2O
SMILES N(C(C1=C(CCCCCC)C=CC=C1C(F)(F)F)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-0006-0913200000-a5257f296c6264affa82
Sample Comments linear:branched = 64:36
Source of Spectrum QE-25-SM10-2e-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.29 (hexane/EtOAc, 10:1)
Wiley ID 1891475