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KCRAFXKELBXBQY-AATRIKPKSA-N
SpectraBase Compound ID AY3MyIFqKLg
InChI InChI=1S/C8H9N3O3/c1-4-7(12)11-6(10-4)5(3-9)8(13)14-2/h4,10H,1-2H3,(H,11,12)/b6-5+
InChIKey KCRAFXKELBXBQY-AATRIKPKSA-N
Mol Weight 195.18 g/mol
Molecular Formula C8H9N3O3
Exact Mass 195.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUtaPhAQC6l
Name KCRAFXKELBXBQY-AATRIKPKSA-N
CAS Registry Number 127855-59-8
Compound Number 5C'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O3
InChI InChI=1S/C8H9N3O3/c1-4-7(12)11-6(10-4)5(3-9)8(13)14-2/h4,10H,1-2H3,(H,11,12)/b6-5+
InChIKey KCRAFXKELBXBQY-AATRIKPKSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation CHEM.BER.,123,2203(1990)
Literature Reference DOI 10.1002/cber.19901231119
Molecular Weight 195.178 g/mol
Solvent DMSO-D6
Source File Reference UWED6754