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3-METHOXYCARBONYL-4-(2-CHLOROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
SpectraBase Compound ID KubIf7e7ZxB
InChI InChI=1S/C20H22ClNO3/c1-11-16(19(24)25-4)17(12-7-5-6-8-13(12)21)18-14(22-11)9-20(2,3)10-15(18)23/h5-8,17,22H,9-10H2,1-4H3
InChIKey GVKGMJCOYFQOJF-UHFFFAOYSA-N
Mol Weight 359.85 g/mol
Molecular Formula C20H22ClNO3
Exact Mass 359.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKtL2tICVwP
Name 3-METHOXYCARBONYL-4-(2-CHLOROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22ClNO3
InChI InChI=1S/C20H22ClNO3/c1-11-16(19(24)25-4)17(12-7-5-6-8-13(12)21)18-14(22-11)9-20(2,3)10-15(18)23/h5-8,17,22H,9-10H2,1-4H3
InChIKey GVKGMJCOYFQOJF-UHFFFAOYSA-N
Literature Reference Author E.SALFRAN,M.SUAREZ,D.MOLERO,R.MARTINEZ-ALVAREZ,Y.VERDECIA,E. OCHOA,A.ALVAREZ,C.SE
Literature Reference Citation MAGN.RES.CHEM.,44,637(2006)
Literature Reference DOI 10.1002/mrc.1784
Molecular Weight 359.853 g/mol
Sample ID 43724
Solvent DMSO-D6