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9H-5-(4'-TOLYL)-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
SpectraBase Compound ID HjZeXS2OuNg
InChI InChI=1S/C21H24N2O3/c1-11-4-6-12(7-5-11)14-8-13-9-21(2,3)10-15-16(13)18(17(14)20(25)26)19(24)23-22-15/h4-7,13-14,17H,8-10H2,1-3H3,(H,23,24)(H,25,26)/t13-,14+,17+/m0/s1
InChIKey WHYCDVXSSLZPKW-JJRVBVJISA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BSAv8j1srU
Name 9H-5-(4'-TOLYL)-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-11-4-6-12(7-5-11)14-8-13-9-21(2,3)10-15-16(13)18(17(14)20(25)26)19(24)23-22-15/h4-7,13-14,17H,8-10H2,1-3H3,(H,23,24)(H,25,26)/t13-,14+,17+/m0/s1
InChIKey WHYCDVXSSLZPKW-JJRVBVJISA-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 352.433 g/mol
Solvent CDCl3
Source File Reference UWVP7559