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

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Ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9U36g0py7D0
InChI InChI=1S/C25H33NO5/c1-7-11-31-19-10-9-16(12-20(19)29-6)22-21(24(28)30-8-2)15(3)26-17-13-25(4,5)14-18(27)23(17)22/h9-10,12,22,26H,7-8,11,13-14H2,1-6H3
InChIKey SOYBGCIUJAPMAW-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C25H33NO5
Exact Mass 427.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vUbhokVX2G
Name Ethyl 4-(3-methoxy-4-propoxyphenyl)-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 427.235873162 u
Formula C25H33NO5
InChI InChI=1S/C25H33NO5/c1-7-11-31-19-10-9-16(12-20(19)29-6)22-21(24(28)30-8-2)15(3)26-17-13-25(4,5)14-18(27)23(17)22/h9-10,12,22,26H,7-8,11,13-14H2,1-6H3
InChIKey SOYBGCIUJAPMAW-UHFFFAOYSA-N
Molecular Weight 427.541 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC(OC)=C(C=C1)OCCC)C(=O)OCC)C