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4-(hexan-2-yl)-N-(quinolin-8-yl)-[1,1'-biphenyl]-3-carboxamide
SpectraBase Compound ID LhvRCFuP59r
InChI InChI=1S/C28H28N2O/c1-3-4-10-20(2)24-17-16-23(21-11-6-5-7-12-21)19-25(24)28(31)30-26-15-8-13-22-14-9-18-29-27(22)26/h5-9,11-20H,3-4,10H2,1-2H3,(H,30,31)
InChIKey QLTVZKPXUMAEDC-UHFFFAOYSA-N
Mol Weight 408.55 g/mol
Molecular Formula C28H28N2O
Exact Mass 408.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGgR6Hhf4GZ
Name 4-(hexan-2-yl)-N-(quinolin-8-yl)-[1,1'-biphenyl]-3-carboxamide
Appearance Colorless oil
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Exact Mass 408.220163529 u
Formula C28H28N2O
InChI InChI=1S/C28H28N2O/c1-3-4-10-20(2)24-17-16-23(21-11-6-5-7-12-21)19-25(24)28(31)30-26-15-8-13-22-14-9-18-29-27(22)26/h5-9,11-20H,3-4,10H2,1-2H3,(H,30,31)
InChIKey QLTVZKPXUMAEDC-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 408.545 g/mol
Quality 64
Reported Formula C28H28N2O
SMILES N(C(C1=C(C(C)CCCC)C=CC(=C1)C1=CC=CC=C1)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-0a4i-0590300000-70939c0a7b713cb42b2e
Sample Comments linear:branched = 95:5
Source of Spectrum QE-25-SM16-2na-2 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.31 (hexane/EtOAc, 10:1)
Wiley ID 1891495