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4-hexyl-2-methyl-3-(quinolin-8-ylcarbamoyl)phenyl acetate
SpectraBase Compound ID 4qpnUCW0zvd
InChI InChI=1S/C25H28N2O3/c1-4-5-6-7-10-19-14-15-22(30-18(3)28)17(2)23(19)25(29)27-21-13-8-11-20-12-9-16-26-24(20)21/h8-9,11-16H,4-7,10H2,1-3H3,(H,27,29)
InChIKey MERWSYLNMPUAKG-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C25H28N2O3
Exact Mass 404.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZUM38cr4IJ
Name 4-hexyl-2-methyl-3-(quinolin-8-ylcarbamoyl)phenyl acetate
Appearance Colorless oil
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Exact Mass 404.209992767 u
Formula C25H28N2O3
InChI InChI=1S/C25H28N2O3/c1-4-5-6-7-10-19-14-15-22(30-18(3)28)17(2)23(19)25(29)27-21-13-8-11-20-12-9-16-26-24(20)21/h8-9,11-16H,4-7,10H2,1-3H3,(H,27,29)
InChIKey MERWSYLNMPUAKG-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901300
Molecular Weight 404.510 g/mol
Quality 113
Reported Formula C25H28N2O3
SMILES N(C(C1=C(CCCCCC)C=CC(=C1C)OC(C)=O)=O)C1=CC=CC2=C1N=CC=C2
SPLASH splash10-0j4i-0490100000-091f260bee63e7305d52
Sample Comments linear:branched = 78:22
Source of Spectrum QE-25-SM14-2k-1 (DOI: 10.1002/chem.201901300)
Thin-Layer Chromatography 0.21 (hexane/EtOAc, 5:1)
Wiley ID 1891487