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2-[1-(3-METHYL-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-1-METHYL-ETHYL]-MALONONITRILE
SpectraBase Compound ID IVdPgNVp81p
InChI InChI=1S/C9H11N5O/c1-9(2,6(4-10)5-11)14-8(15)3-7(12)13-14/h6H,3H2,1-2H3,(H2,12,13)
InChIKey IQUZQYRFZQTDCZ-UHFFFAOYSA-N
Mol Weight 205.22 g/mol
Molecular Formula C9H11N5O
Exact Mass 205.09636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ysgtqcFX9D
Name 2-[1-(3-METHYL-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-1-METHYL-ETHYL]-MALONONITRILE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11N5O
InChI InChI=1S/C9H11N5O/c1-9(2,6(4-10)5-11)14-8(15)3-7(12)13-14/h6H,3H2,1-2H3,(H2,12,13)
InChIKey IQUZQYRFZQTDCZ-UHFFFAOYSA-N
Literature Reference Author H.M.AL-MATAR,K.D.KHALIL,A.Y.ADAM,M.H.ELNAGDI
Literature Reference Citation MOLECULES,15,6619(2010)
Literature Reference DOI 10.3390/molecules15096619
Molecular Weight 205.219 g/mol
Sample ID 72461
Solvent DMSO-D6