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3-ETHOXYCARBONYL-4-(4-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
SpectraBase Compound ID BNrkNEGag0u
InChI InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-9,18,22H,5,10-11H2,1-4H3
InChIKey WVIDZHCBPBZVDK-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H24N2O5
Exact Mass 384.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31BM8eWtcoS
Name 3-ETHOXYCARBONYL-4-(4-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDRO-2,7,7-TRIMETHYL-5-OXOQUINOLINE
Compound Number 1J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O5
InChI InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-9,18,22H,5,10-11H2,1-4H3
InChIKey WVIDZHCBPBZVDK-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 384.432 g/mol
Sample ID 43732
Solvent DMSO-D6