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N-[(6-AMINO-9H-PURIN-9-YL)-(MORPHOLIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
SpectraBase Compound ID G36UgnoswcM
InChI InChI=1S/C17H16N8O4/c18-14-13-15(20-9-19-14)24(10-21-13)17(23-5-7-29-8-6-23)22-16(26)11-1-3-12(4-2-11)25(27)28/h1-4,9-10H,5-8H2,(H2,18,19,20)/b22-17+
InChIKey LOUHMEBTUSRBJJ-OQKWZONESA-N
Mol Weight 396.37 g/mol
Molecular Formula C17H16N8O4
Exact Mass 396.129451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqZdt78eFWy
Name N-[(6-AMINO-9H-PURIN-9-YL)-(MORPHOLIN-1-YL)-METHYLIDEN]-4-NITROBENZAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N8O4
InChI InChI=1S/C17H16N8O4/c18-14-13-15(20-9-19-14)24(10-21-13)17(23-5-7-29-8-6-23)22-16(26)11-1-3-12(4-2-11)25(27)28/h1-4,9-10H,5-8H2,(H2,18,19,20)/b22-17+
InChIKey LOUHMEBTUSRBJJ-OQKWZONESA-N
Literature Reference Author W.RIED,H.WOITHE
Literature Reference Citation HELV.CHIM.ACTA,72,1860(1989)
Literature Reference DOI 10.1002/hlca.19890720823
Molecular Weight 396.365 g/mol
Solvent DMSO-D6
Source File Reference UWED11098