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3-(5-AMINO-3-HYDROXY-1H-PYRAZOL-1-YL)-3-OXO-PROPANE-NITRILE
SpectraBase Compound ID J4uk4eTrsf7
InChI InChI=1S/C6H6N4O2/c7-2-1-6(12)10-4(8)3-5(11)9-10/h3H,1,8H2,(H,9,11)
InChIKey NSJBTZUCBOOWRO-UHFFFAOYSA-N
Mol Weight 166.14 g/mol
Molecular Formula C6H6N4O2
Exact Mass 166.049075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gk6UrKTeXTD
Name 3-(5-AMINO-3-HYDROXY-1H-PYRAZOL-1-YL)-3-OXO-PROPANE-NITRILE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N4O2
InChI InChI=1S/C6H6N4O2/c7-2-1-6(12)10-4(8)3-5(11)9-10/h3H,1,8H2,(H,9,11)
InChIKey NSJBTZUCBOOWRO-UHFFFAOYSA-N
Literature Reference Author R.M.MOHAREB,N.N.E.EL-SAYED,M.A.ABDELAZIZ
Literature Reference Citation MOLECULES,17,8449(2012)
Literature Reference DOI 10.3390/molecules17078449
Molecular Weight 166.139 g/mol
Sample ID 1132
Solvent DMSO-D6