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1,3-Dimethyl-3-pyrazolin-5-one
SpectraBase Compound ID ApGATyxSOBX
InChI InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3
InChIKey JXPVQFCUIAKFLT-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C5H8N2O
Exact Mass 112.063663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkUn3aJ0INE
Name 1,3-Dimethyl-3-pyrazolin-5-one
CAS Registry Number 3201-29-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H8N2O
InChI InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3
InChIKey JXPVQFCUIAKFLT-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference A.R. Katritzky, P. Barczynski, J. Chem. Soc. Perkin II 969 (1987).
NMR Standard CD3CN
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN