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3-METHYLCARBONYL-4-(4-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
SpectraBase Compound ID Jvcyjk8P8OI
InChI InChI=1S/C20H22N2O4/c1-11-17(12(2)23)18(13-5-7-14(8-6-13)22(25)26)19-15(21-11)9-20(3,4)10-16(19)24/h5-8,18,21H,9-10H2,1-4H3
InChIKey DQBPNNSKWYQHOG-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Z0iOkvc3Qp
Name 3-METHYLCARBONYL-4-(4-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
Compound Number 1L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-11-17(12(2)23)18(13-5-7-14(8-6-13)22(25)26)19-15(21-11)9-20(3,4)10-16(19)24/h5-8,18,21H,9-10H2,1-4H3
InChIKey DQBPNNSKWYQHOG-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 354.406 g/mol
Sample ID 43734
Solvent DMSO-D6