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2-(5-AMINO-4-H-1,2,4-TRIAZOL-3-YL)-1-PHENYLETHANONE;KETO-TAUTOMER
SpectraBase Compound ID 4vGDFLIawPA
InChI InChI=1S/C10H10N4O/c11-10-12-9(13-14-10)6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,12,13,14)
InChIKey CYDBKYOCZTUBFW-UHFFFAOYSA-N
Mol Weight 202.22 g/mol
Molecular Formula C10H10N4O
Exact Mass 202.085461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bGhRsbczcV
Name 2-(5-AMINO-4-H-1,2,4-TRIAZOL-3-YL)-1-PHENYLETHANONE;KETO-TAUTOMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N4O
InChI InChI=1S/C10H10N4O/c11-10-12-9(13-14-10)6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,12,13,14)
InChIKey CYDBKYOCZTUBFW-UHFFFAOYSA-N
Literature Reference Author E.H.L.TEE,T.KAROLI,S.RAMU,J.X.HUANG,M.S.BUTLER,M.A.COOPER
Literature Reference Citation J.NAT.PROD.,73,1940(2010)
Literature Reference DOI 10.1021/np100648q
Molecular Weight 202.216 g/mol
Sample ID 37148
Solvent DMSO-D6