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2-(BENZYLSULFANYL)-8-[(4-NITROPHENYL)-HYDRAZONO]-1,8-DIHYDROPURIN-6-ONE
SpectraBase Compound ID A1IlHi1bU2w
InChI InChI=1S/C18H13N7O3S/c26-16-14-15(21-18(22-16)29-10-11-4-2-1-3-5-11)20-17(19-14)24-23-12-6-8-13(9-7-12)25(27)28/h1-9,23H,10H2,(H,20,21,22,24,26)
InChIKey PEBCUFOKQCCKJY-UHFFFAOYSA-N
Mol Weight 407.41 g/mol
Molecular Formula C18H13N7O3S
Exact Mass 407.080058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Acf6RRPnf9J
Name 2-(BENZYLSULFANYL)-8-[(4-NITROPHENYL)-HYDRAZONO]-1,8-DIHYDROPURIN-6-ONE
Compound Number 6I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13N7O3S
InChI InChI=1S/C18H13N7O3S/c26-16-14-15(21-18(22-16)29-10-11-4-2-1-3-5-11)20-17(19-14)24-23-12-6-8-13(9-7-12)25(27)28/h1-9,23H,10H2,(H,20,21,22,24,26)
InChIKey PEBCUFOKQCCKJY-UHFFFAOYSA-N
Literature Reference Author E.S.DARWISH,M.A.MOSSELHI,F.M.ALTALBAWY,H.A.SAAD
Literature Reference Citation MOLECULES,16,8788(2011)
Literature Reference DOI 10.3390/molecules16108788
Molecular Weight 407.406 g/mol
Sample ID 336
Solvent DMSO-D6