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Ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID JCrZYHJprBH
InChI InChI=1S/C22H25NO6/c1-5-28-22(26)19-12(2)23-15-7-6-8-16(25)21(15)20(19)14-9-10-17(29-13(3)24)18(11-14)27-4/h9-11,20,23H,5-8H2,1-4H3
InChIKey DRRWQWXLYUIXDC-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QeiNXKhoyK
Name Ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-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 399.168187523 u
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-5-28-22(26)19-12(2)23-15-7-6-8-16(25)21(15)20(19)14-9-10-17(29-13(3)24)18(11-14)27-4/h9-11,20,23H,5-8H2,1-4H3
InChIKey DRRWQWXLYUIXDC-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C=1C=C(OC)C(=CC1)OC(=O)C)C(=O)OCC)C