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9H-5-PHENYL-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
SpectraBase Compound ID D7iE1hiXnYc
InChI InChI=1S/C20H22N2O3/c1-20(2)9-12-8-13(11-6-4-3-5-7-11)16(19(24)25)17-15(12)14(10-20)21-22-18(17)23/h3-7,12-13,16H,8-10H2,1-2H3,(H,22,23)(H,24,25)/t12-,13+,16+/m0/s1
InChIKey KQVUCLDACCBTRZ-WOSRLPQWSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNiCycDzRa1
Name 9H-5-PHENYL-4-CARBOXY-4,5,6,6A,7,8-HEXAHYDRO-1,2-DIAZAPHENALEN-3-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-20(2)9-12-8-13(11-6-4-3-5-7-11)16(19(24)25)17-15(12)14(10-20)21-22-18(17)23/h3-7,12-13,16H,8-10H2,1-2H3,(H,22,23)(H,24,25)/t12-,13+,16+/m0/s1
InChIKey KQVUCLDACCBTRZ-WOSRLPQWSA-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 338.406 g/mol
Solvent CDCl3
Source File Reference UWVP7557