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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 1-methylethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 1-methylethyl ester
SpectraBase Compound ID 1q7gC3LVqqe
InChI InChI=1S/C26H29NO5/c1-13(2)32-25(30)21-15(4)27-18-10-26(5,6)11-19(28)23(18)22(21)17-12-31-20-8-7-14(3)9-16(20)24(17)29/h7-9,12-13,22,27H,10-11H2,1-6H3
InChIKey WLQKXNWRJSCCFV-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C26H29NO5
Exact Mass 435.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26WOwNo0gYB
Name 2,7,7-trimethyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO5
InChI InChI=1S/C26H29NO5/c1-13(2)32-25(30)21-15(4)27-18-10-26(5,6)11-19(28)23(18)22(21)17-12-31-20-8-7-14(3)9-16(20)24(17)29/h7-9,12-13,22,27H,10-11H2,1-6H3
InChIKey WLQKXNWRJSCCFV-UHFFFAOYSA-N
Molecular Weight 435.520 g/mol
SMILES N1C(=C(C(C2=C1CC(CC2=O)(C)C)C=1C(c2cc(C)ccc2OC1)=O)C(OC(C)C)=O)C
SPLASH splash10-0002-4948100000-5917234d4b278ff3db85
Synonyms 5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester isopropyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Propan-2-yl 2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Propan-2-yl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1460612