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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-PHENYLGLYCINE-METHYLESTER
SpectraBase Compound ID L4sncStHv5r
InChI InChI=1S/C17H18N6O5/c1-21-14-13(15(25)22(2)17(21)27)23(20-19-14)9-11(24)18-12(16(26)28-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,18,24)/t12-/m1/s1
InChIKey YKNKFHVMJHOLMH-GFCCVEGCSA-N
Mol Weight 386.37 g/mol
Molecular Formula C17H18N6O5
Exact Mass 386.133868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ho5XV49Z6RD
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-PHENYLGLYCINE-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N6O5
InChI InChI=1S/C17H18N6O5/c1-21-14-13(15(25)22(2)17(21)27)23(20-19-14)9-11(24)18-12(16(26)28-3)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,18,24)/t12-/m1/s1
InChIKey YKNKFHVMJHOLMH-GFCCVEGCSA-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 386.367 g/mol
Sample ID 39622
Solvent DMSO-D6