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Ethyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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Ethyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID Ce72Kd1OoU4
InChI InChI=1S/C30H35NO6/c1-7-36-29(33)26-18(2)31-23-15-30(3,4)16-24(32)28(23)27(26)19-8-9-20(25(14-19)35-6)17-37-22-12-10-21(34-5)11-13-22/h8-14,27,31H,7,15-17H2,1-6H3
InChIKey ZSZGBSXJXRNOMH-UHFFFAOYSA-N
Mol Weight 505.6 g/mol
Molecular Formula C30H35NO6
Exact Mass 505.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1P8418EBrZ6
Name Ethyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-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 505.246437845 u
Formula C30H35NO6
InChI InChI=1S/C30H35NO6/c1-7-36-29(33)26-18(2)31-23-15-30(3,4)16-24(32)28(23)27(26)19-8-9-20(25(14-19)35-6)17-37-22-12-10-21(34-5)11-13-22/h8-14,27,31H,7,15-17H2,1-6H3
InChIKey ZSZGBSXJXRNOMH-UHFFFAOYSA-N
Molecular Weight 505.611 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C=1C=C(OC)C(=CC1)COC1=CC=C(C=C1)OC)C(=O)OCC)C