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Butyl 1,4,7,8-tetrahydro-2,7,7-trimethyl-5(6H)-oxo-4-(p-tolyl)quinoline-3-carboxylate
SpectraBase Compound ID LQmlQ0D5nMV
InChI InChI=1S/C24H31NO3/c1-6-7-12-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-15(2)9-11-17/h8-11,21,25H,6-7,12-14H2,1-5H3
InChIKey UKMMQQFWOBARKN-UHFFFAOYSA-N
Mol Weight 381.52 g/mol
Molecular Formula C24H31NO3
Exact Mass 381.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWhE9QJinX7
Name Butyl 1,4,7,8-tetrahydro-2,7,7-trimethyl-5(6H)-oxo-4-(p-tolyl)quinoline-3-carboxylate
Alternate Name(s) Butyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS Registry Number 295344-66-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO3
InChI InChI=1S/C24H31NO3/c1-6-7-12-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-15(2)9-11-17/h8-11,21,25H,6-7,12-14H2,1-5H3
InChIKey UKMMQQFWOBARKN-UHFFFAOYSA-N
Molecular Weight 381.516 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OCCCC)c1ccc(cc1)C)C(CC(C2)(C)C)=O
SPLASH splash10-0006-8591000000-8eee1db8a7a5dbb03c08
Wiley ID 1469307