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2-(5-cyanopentyl)-6-methyl-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID DSUFGHmwnkt
InChI InChI=1S/C23H23N3O/c1-17-9-6-11-18(10-4-2-3-5-15-24)21(17)23(27)26-20-14-7-12-19-13-8-16-25-22(19)20/h6-9,11-14,16H,2-5,10H2,1H3,(H,26,27)
InChIKey NDMIBLXNFNIYTL-UHFFFAOYSA-N
Mol Weight 357.46 g/mol
Molecular Formula C23H23N3O
Exact Mass 357.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w5BPYi3Ra7
Name 2-(5-cyanopentyl)-6-methyl-N-(quinolin-8-yl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.184112372 u
Formula C23H23N3O
InChI InChI=1S/C23H23N3O/c1-17-9-6-11-18(10-4-2-3-5-15-24)21(17)23(27)26-20-14-7-12-19-13-8-16-25-22(19)20/h6-9,11-14,16H,2-5,10H2,1H3,(H,26,27)
InChIKey NDMIBLXNFNIYTL-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 357.457 g/mol
Quality 98
Reported Formula C23H23N3O
SMILES N(C(C1=C(CCCCCC#N)C=CC=C1C)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-08fr-0593000000-c6c406291489587a0a4c
Sample Comments linear:branched = 82:18
Source of Spectrum QE-25-SM20-3e-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.11 (hexane/EtOAc, 5:1)
Wiley ID 1891507