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2-(BENZYLSULFANYL)-8-[(3-CHLOROPHENYL)-HYDRAZONO]-1,8-DIHYDROPURIN-6-ONE
SpectraBase Compound ID Df6RJTYeNyc
InChI InChI=1S/C18H13ClN6OS/c19-12-7-4-8-13(9-12)24-25-17-20-14-15(21-17)22-18(23-16(14)26)27-10-11-5-2-1-3-6-11/h1-9,24H,10H2,(H,21,22,23,25,26)
InChIKey HUTWYWGHWYQMIA-UHFFFAOYSA-N
Mol Weight 396.86 g/mol
Molecular Formula C18H13ClN6OS
Exact Mass 396.056008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62DPYfXGgg9
Name 2-(BENZYLSULFANYL)-8-[(3-CHLOROPHENYL)-HYDRAZONO]-1,8-DIHYDROPURIN-6-ONE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13ClN6OS
InChI InChI=1S/C18H13ClN6OS/c19-12-7-4-8-13(9-12)24-25-17-20-14-15(21-17)22-18(23-16(14)26)27-10-11-5-2-1-3-6-11/h1-9,24H,10H2,(H,21,22,23,25,26)
InChIKey HUTWYWGHWYQMIA-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 396.854 g/mol
Sample ID 333
Solvent DMSO-D6