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

View entire compound with spectra: 2 NMR

Allyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 4Vj3hpfbDpm
InChI InChI=1S/C22H24ClNO3/c1-5-10-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-8-6-7-9-15(14)23/h5-9,19,24H,1,10-12H2,2-4H3
InChIKey MDWBBGYCTDGFBO-UHFFFAOYSA-N
Mol Weight 385.89 g/mol
Molecular Formula C22H24ClNO3
Exact Mass 385.144471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIc5jH3sCwh
Name Allyl 4-(2-chlorophenyl)-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 385.144471334 u
Formula C22H24ClNO3
InChI InChI=1S/C22H24ClNO3/c1-5-10-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-8-6-7-9-15(14)23/h5-9,19,24H,1,10-12H2,2-4H3
InChIKey MDWBBGYCTDGFBO-UHFFFAOYSA-N
Molecular Weight 385.891 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=C(Cl)C=CC=C1)C(=O)OCC=C)C