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6-(hexan-2-yl)-2-methyl-N-(quinolin-8-yl)-3-(trifluoromethyl)benzamide
SpectraBase Compound ID CvBcbQY1PLA
InChI InChI=1S/C24H25F3N2O/c1-4-5-8-15(2)18-12-13-19(24(25,26)27)16(3)21(18)23(30)29-20-11-6-9-17-10-7-14-28-22(17)20/h6-7,9-15H,4-5,8H2,1-3H3,(H,29,30)
InChIKey OVOYHCKHVNENLK-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 445m6ojqEVQ
Name 6-(hexan-2-yl)-2-methyl-N-(quinolin-8-yl)-3-(trifluoromethyl)benzamide
Appearance Colorless oil
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Formula C24H25F3N2O
InChI InChI=1S/C24H25F3N2O/c1-4-5-8-15(2)18-12-13-19(24(25,26)27)16(3)21(18)23(30)29-20-11-6-9-17-10-7-14-28-22(17)20/h6-7,9-15H,4-5,8H2,1-3H3,(H,29,30)
InChIKey OVOYHCKHVNENLK-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=C1C(C)CCCC)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-2 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.40 (hexane/EtOAc, 10:1)
Wiley ID 1891490