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9H-5-(2'-CHLOROPHENYL)-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
SpectraBase Compound ID JI8GOWKXepu
InChI InChI=1S/C20H21ClN2O3/c1-20(2)8-10-7-12(11-5-3-4-6-13(11)21)16(19(25)26)17-15(10)14(9-20)22-23-18(17)24/h3-6,10,12,16H,7-9H2,1-2H3,(H,23,24)(H,25,26)/t10-,12+,16+/m0/s1
InChIKey YKDVKYSGQVQXLK-KANYHAFZSA-N
Mol Weight 372.85 g/mol
Molecular Formula C20H21ClN2O3
Exact Mass 372.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEFXPLyXi3y
Name 9H-5-(2'-CHLOROPHENYL)-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClN2O3
InChI InChI=1S/C20H21ClN2O3/c1-20(2)8-10-7-12(11-5-3-4-6-13(11)21)16(19(25)26)17-15(10)14(9-20)22-23-18(17)24/h3-6,10,12,16H,7-9H2,1-2H3,(H,23,24)(H,25,26)/t10-,12+,16+/m0/s1
InChIKey YKDVKYSGQVQXLK-KANYHAFZSA-N
Literature Reference Author Y.E.BARKAOUI,N.JORIO,S.FKIH-TETOUANI,A.E.LOUZI,A.LOUPY
Literature Reference Citation HETEROCYCLES,51,1517(1999)
Literature Reference DOI 10.3987/COM-98-8454
Molecular Weight 372.851 g/mol
Solvent CDCl3
Source File Reference UWVP7558