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3-hexyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide
SpectraBase Compound ID 5joBMVjvM4J
InChI InChI=1S/C28H28N2O/c1-2-3-4-6-14-22-15-9-18-24(21-12-7-5-8-13-21)26(22)28(31)30-25-19-10-16-23-17-11-20-29-27(23)25/h5,7-13,15-20H,2-4,6,14H2,1H3,(H,30,31)
InChIKey MGZATSJDQPNMPW-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 rUWtLKkkp8
Name 3-hexyl-N-(quinolin-8-yl)-[1,1'-biphenyl]-2-carboxamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.220163529 u
Formula C28H28N2O
InChI InChI=1S/C28H28N2O/c1-2-3-4-6-14-22-15-9-18-24(21-12-7-5-8-13-21)26(22)28(31)30-25-19-10-16-23-17-11-20-29-27(23)25/h5,7-13,15-20H,2-4,6,14H2,1H3,(H,30,31)
InChIKey MGZATSJDQPNMPW-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 408.545 g/mol
Quality 41
Reported Formula C28H28N2O
SMILES N(C(C=1C(CCCCCC)=CC=CC1C1=CC=CC=C1)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-014i-0290200000-41aabdce099f8ba59484
Sample Comments linear:branched = 88:12
Source of Spectrum QE-25-SM8-2c-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.25 (hexane/EtOAc, 10:1)
Wiley ID 1891471