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QXANQLFHXKFFIK-UHFFFAOYSA-N

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QXANQLFHXKFFIK-UHFFFAOYSA-N
SpectraBase Compound ID DkCndZuCJzt
InChI InChI=1S/C9H13N3O/c1-2-6-11-9(12-13)8-5-3-4-7-10-8/h3-5,7,13H,2,6H2,1H3,(H,11,12)
InChIKey QXANQLFHXKFFIK-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C9H13N3O
Exact Mass 179.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MEUvqQlSS5
Name QXANQLFHXKFFIK-UHFFFAOYSA-N
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N3O
InChI InChI=1S/C9H13N3O/c1-2-6-11-9(12-13)8-5-3-4-7-10-8/h3-5,7,13H,2,6H2,1H3,(H,11,12)
InChIKey QXANQLFHXKFFIK-UHFFFAOYSA-N
Literature Reference Author Y.DUERUEST
Literature Reference Citation MAGN.RES.CHEM.,36,878(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(1998110)36:11<878::aid-omr373>3.3.co;2-u
Molecular Weight 178.214 g/mol
Solvent CDCl3
Source File Reference UWCS24730