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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-METHIONINE-METHYLESTER
SpectraBase Compound ID 8c0mWOePUZZ
InChI InChI=1S/C14H20N6O5S/c1-18-11-10(12(22)19(2)14(18)24)20(17-16-11)7-9(21)15-8(5-6-26-4)13(23)25-3/h8H,5-7H2,1-4H3,(H,15,21)/t8-/m0/s1
InChIKey OTBNZMNOXAZHAV-QMMMGPOBSA-N
Mol Weight 384.41 g/mol
Molecular Formula C14H20N6O5S
Exact Mass 384.121589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lJ8QuYrtpV
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-METHIONINE-METHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N6O5S
InChI InChI=1S/C14H20N6O5S/c1-18-11-10(12(22)19(2)14(18)24)20(17-16-11)7-9(21)15-8(5-6-26-4)13(23)25-3/h8H,5-7H2,1-4H3,(H,15,21)/t8-/m0/s1
InChIKey OTBNZMNOXAZHAV-QMMMGPOBSA-N
Literature Reference Author A.A.H.ABDEL-RAHMAN
Literature Reference Citation MH.CHEM.,139,61(2008)
Literature Reference DOI 10.1007/s00706-007-0745-8
Molecular Weight 384.410 g/mol
Sample ID 39621
Solvent DMSO-D6