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CAAJNQHDGMFQEQ-UHFFFAOYSA-N

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CAAJNQHDGMFQEQ-UHFFFAOYSA-N
SpectraBase Compound ID G21CoMsRkKI
InChI InChI=1S/C8H11N3O/c1-2-9-8(11-12)7-5-3-4-6-10-7/h3-6,12H,2H2,1H3,(H,9,11)
InChIKey CAAJNQHDGMFQEQ-UHFFFAOYSA-N
Mol Weight 165.2 g/mol
Molecular Formula C8H11N3O
Exact Mass 165.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1ekHYRBy34
Name CAAJNQHDGMFQEQ-UHFFFAOYSA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10N3O
InChI InChI=1S/C8H11N3O/c1-2-9-8(11-12)7-5-3-4-6-10-7/h3-6,12H,2H2,1H3,(H,9,11)
InChIKey CAAJNQHDGMFQEQ-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 164.187 g/mol
Solvent CDCl3
Source File Reference UWCS24729