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2-fluoro-6-(hexan-2-yl)-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID IqrUActAjAg
InChI InChI=1S/C22H23FN2O/c1-3-4-8-15(2)17-11-6-12-18(23)20(17)22(26)25-19-13-5-9-16-10-7-14-24-21(16)19/h5-7,9-15H,3-4,8H2,1-2H3,(H,25,26)
InChIKey MRBINNTYQPPJOA-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C22H23FN2O
Exact Mass 350.179442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lhsDGMHws4
Name 2-fluoro-6-(hexan-2-yl)-N-(quinolin-8-yl)benzamide
Appearance Colorless oil
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Exact Mass 350.179441531 u
Formula C22H23FN2O
InChI InChI=1S/C22H23FN2O/c1-3-4-8-15(2)17-11-6-12-18(23)20(17)22(26)25-19-13-5-9-16-10-7-14-24-21(16)19/h5-7,9-15H,3-4,8H2,1-2H3,(H,25,26)
InChIKey MRBINNTYQPPJOA-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 350.437 g/mol
Quality 133
Reported Formula C22H23FN2O
SMILES N(C(C1=C(F)C=CC=C1C(C)CCCC)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-0f6y-0922000000-749d8fa25df8f4444aa8
Sample Comments linear:branched = 83:17
Source of Spectrum QE-25-SM9-2d-2 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.29 (hexane/EtOAc, 10:1)
Wiley ID 1891474