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MAJOR_ISOMER
SpectraBase Compound ID 8Qvt5JlTn7a
InChI InChI=1S/C9H8N5O8/c1-2-4(11(15)16)7-5(12(17)18)3-6(13(19)20)8-9(7)14(21)22-10-8/h3-4,7H,2H2,1H3/q-1/t4-,7-/m1/s1
InChIKey DTVXCMZGJRQPMN-CLZZGJSISA-N
Mol Weight 314.19 g/mol
Molecular Formula C9H8N5O8
Exact Mass 314.037287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kMScgLA072
Name MAJOR_ISOMER
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N5O8
InChI InChI=1S/C9H8N5O8/c1-2-4(11(15)16)7-5(12(17)18)3-6(13(19)20)8-9(7)14(21)22-10-8/h3-4,7H,2H2,1H3/q-1/t4-,7-/m1/s1
InChIKey DTVXCMZGJRQPMN-CLZZGJSISA-N
Literature Reference Author F.TERRIER,R.GOUMONT,M.J.POUET,J.C.HALLE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1629(1995)
Literature Reference DOI 10.1039/p29950001629
Molecular Weight 314.191 g/mol
Solvent DMSO-D6
Source File Reference UWMK148