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

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Allyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 8Le05gOExF2
InChI InChI=1S/C25H31NO5/c1-7-11-31-24(28)21-15(3)26-17-13-25(4,5)14-18(27)23(17)22(21)16-9-10-19(30-8-2)20(12-16)29-6/h7,9-10,12,22,26H,1,8,11,13-14H2,2-6H3
InChIKey SDPHSQLEJSFFSP-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmFV8FrYAuy
Name Allyl 4-(4-ethoxy-3-methoxyphenyl)-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 425.220223097 u
Formula C25H31NO5
InChI InChI=1S/C25H31NO5/c1-7-11-31-24(28)21-15(3)26-17-13-25(4,5)14-18(27)23(17)22(21)16-9-10-19(30-8-2)20(12-16)29-6/h7,9-10,12,22,26H,1,8,11,13-14H2,2-6H3
InChIKey SDPHSQLEJSFFSP-UHFFFAOYSA-N
Molecular Weight 425.525 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C=1C=C(OC)C(=CC1)OCC)C(=O)OCC=C)C