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3-chloro-6-(hexan-2-yl)-2-methyl-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID FEVN5woDkGc
InChI InChI=1S/C23H25ClN2O/c1-4-5-8-15(2)18-12-13-19(24)16(3)21(18)23(27)26-20-11-6-9-17-10-7-14-25-22(17)20/h6-7,9-15H,4-5,8H2,1-3H3,(H,26,27)
InChIKey DAXHYODKKRXBPV-UHFFFAOYSA-N
Mol Weight 380.92 g/mol
Molecular Formula C23H25ClN2O
Exact Mass 380.165541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cuP0uH2dgE
Name 3-chloro-6-(hexan-2-yl)-2-methyl-N-(quinolin-8-yl)benzamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClN2O
InChI InChI=1S/C23H25ClN2O/c1-4-5-8-15(2)18-12-13-19(24)16(3)21(18)23(27)26-20-11-6-9-17-10-7-14-25-22(17)20/h6-7,9-15H,4-5,8H2,1-3H3,(H,26,27)
InChIKey DAXHYODKKRXBPV-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 380.919 g/mol
Quality 211
Reported Formula C23H25ClN2O
SMILES N(C(C1=C(C(Cl)=CC=C1C(C)CCCC)C)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-0019-0942000000-0cb76bceeb716f661122
Sample Comments linear:branched = 80:20
Source of Spectrum QE-25-SM12-2i-2 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.34 (hexane/EtOAc, 10:1)
Wiley ID 1891484