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ETHYL-[5-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-(1,3,4-OXADIAZOL-2-YL)-METHYL]-THIOGLYCOLATE

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ETHYL-[5-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-(1,3,4-OXADIAZOL-2-YL)-METHYL]-THIOGLYCOLATE
SpectraBase Compound ID 2rY5KHASMxy
InChI InChI=1S/C13H15N7O5S/c1-4-24-8(21)6-26-12-16-14-7(25-12)5-20-9-10(15-17-20)18(2)13(23)19(3)11(9)22/h4-6H2,1-3H3
InChIKey MGCYBESSTBDHLC-UHFFFAOYSA-N
Mol Weight 381.37 g/mol
Molecular Formula C13H15N7O5S
Exact Mass 381.085538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCWbw8WXgWU
Name ETHYL-[5-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-(1,3,4-OXADIAZOL-2-YL)-METHYL]-THIOGLYCOLATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N7O5S
InChI InChI=1S/C13H15N7O5S/c1-4-24-8(21)6-26-12-16-14-7(25-12)5-20-9-10(15-17-20)18(2)13(23)19(3)11(9)22/h4-6H2,1-3H3
InChIKey MGCYBESSTBDHLC-UHFFFAOYSA-N
Literature Reference Author F.A.EL-ESSAWY,A.F.KHATTAB,A.A.H.ABDEL-RAHMAN
Literature Reference Citation MH.CHEM.,138,777(2007)
Literature Reference DOI 10.1007/s00706-007-0649-7
Molecular Weight 381.366 g/mol
Sample ID 68578
Solvent DMSO-D6