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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-ALANINE-METHYLESTER
SpectraBase Compound ID 7oqzkSCapAb
InChI InChI=1S/C12H16N6O5/c1-6(11(21)23-4)13-7(19)5-18-8-9(14-15-18)16(2)12(22)17(3)10(8)20/h6H,5H2,1-4H3,(H,13,19)
InChIKey WAIKZXBQIRFWFZ-UHFFFAOYSA-N
Mol Weight 324.3 g/mol
Molecular Formula C12H16N6O5
Exact Mass 324.118218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFUc1KIs7Et
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-ALANINE-METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N6O5
InChI InChI=1S/C12H16N6O5/c1-6(11(21)23-4)13-7(19)5-18-8-9(14-15-18)16(2)12(22)17(3)10(8)20/h6H,5H2,1-4H3,(H,13,19)
InChIKey WAIKZXBQIRFWFZ-UHFFFAOYSA-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 324.296 g/mol
Sample ID 39617
Solvent DMSO-D6