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2-Ethoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

2-Ethoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID JAkttIsAoxK
InChI InChI=1S/C25H33NO6/c1-6-30-10-11-32-24(29)21-15(3)26-17-13-25(4,5)14-19(28)23(17)22(21)16-8-9-18(27)20(12-16)31-7-2/h8-9,12,22,26-27H,6-7,10-11,13-14H2,1-5H3
InChIKey LCQXWJPOHCUGJR-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C25H33NO6
Exact Mass 443.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ec8JIb8Rh8f
Name 2-Ethoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-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 443.230787781 u
Formula C25H33NO6
InChI InChI=1S/C25H33NO6/c1-6-30-10-11-32-24(29)21-15(3)26-17-13-25(4,5)14-19(28)23(17)22(21)16-8-9-18(27)20(12-16)31-7-2/h8-9,12,22,26-27H,6-7,10-11,13-14H2,1-5H3
InChIKey LCQXWJPOHCUGJR-UHFFFAOYSA-N
Molecular Weight 443.540 g/mol
SMILES N1C(=C(C(C=2C=CC(=C(C2)OCC)O)C=2C(CC(CC12)(C)C)=O)C(=O)OCCOCC)C