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Ethyl 4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 1X4XjRAyk12
InChI InChI=1S/C24H31NO4/c1-7-28-23(27)20-15(4)25-17-12-24(5,6)13-18(26)22(17)21(20)16-10-8-9-11-19(16)29-14(2)3/h8-11,14,21,25H,7,12-13H2,1-6H3
InChIKey NGMPDSNYYFJLLQ-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTexG9a75Ue
Name Ethyl 4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.225308478 u
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-7-28-23(27)20-15(4)25-17-12-24(5,6)13-18(26)22(17)21(20)16-10-8-9-11-19(16)29-14(2)3/h8-11,14,21,25H,7,12-13H2,1-6H3
InChIKey NGMPDSNYYFJLLQ-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=C(OC(C)C)C=CC=C1)C(=O)OCC)C