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2-AMINO-3-CYANO-7,7-DIMETHYL-4-(3'-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE
SpectraBase Compound ID 4J6mrR9Ekzs
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-4-3-5-11(6-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey VEQGLLBDKJRYDE-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtsoWThAfPC
Name 2-AMINO-3-CYANO-7,7-DIMETHYL-4-(3'-NITROPHENYL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-18(2)7-13(22)16-14(8-18)25-17(20)12(9-19)15(16)10-4-3-5-11(6-10)21(23)24/h3-6,15H,7-8,20H2,1-2H3
InChIKey VEQGLLBDKJRYDE-UHFFFAOYSA-N
Literature Reference Author M.SUAREZ,D.MOLERO,E.SALFRAN,N.MARTIN,Y.VERDECIA,R.MARTINEZ,E .OCHOA,L.ALBA,M.QUIN
Literature Reference Citation MAGN.RES.CHEM.,39,105(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<105::aid-mrc809>3.3.co;2-v
Molecular Weight 339.351 g/mol
Solvent DMSO-D6
Source File Reference UWSI24840