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3-fluoro-6-hexyl-2-methyl-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID 3dAMzVrSIYf
InChI InChI=1S/C23H25FN2O/c1-3-4-5-6-9-17-13-14-19(24)16(2)21(17)23(27)26-20-12-7-10-18-11-8-15-25-22(18)20/h7-8,10-15H,3-6,9H2,1-2H3,(H,26,27)
InChIKey DSHHEIQUJJQPDA-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C23H25FN2O
Exact Mass 364.195092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY3T2xQI8V1
Name 3-fluoro-6-hexyl-2-methyl-N-(quinolin-8-yl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.195091595 u
Formula C23H25FN2O
InChI InChI=1S/C23H25FN2O/c1-3-4-5-6-9-17-13-14-19(24)16(2)21(17)23(27)26-20-12-7-10-18-11-8-15-25-22(18)20/h7-8,10-15H,3-6,9H2,1-2H3,(H,26,27)
InChIKey DSHHEIQUJJQPDA-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 364.464 g/mol
Quality 90
Reported Formula C23H25FN2O
SMILES N(C(C1=C(C(F)=CC=C1CCCCCC)C)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-03k9-0921000000-d9997d6f4787f572c49b
Sample Comments linear:branched = 86:14
Source of Spectrum QE-25-SM12-2h-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.32 (hexane/EtOAc, 10:1)
Wiley ID 1891481