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2-[1-(3-METHYL-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-ETHYLIDENE]-MALONONITRILE
SpectraBase Compound ID 7WzuABvv42q
InChI InChI=1S/C8H7N5O/c1-5(6(3-9)4-10)13-8(14)2-7(11)12-13/h2H2,1H3,(H2,11,12)
InChIKey NLQKDLCKVWCCOK-UHFFFAOYSA-N
Mol Weight 189.18 g/mol
Molecular Formula C8H7N5O
Exact Mass 189.06506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PQb7jvPGoG
Name 2-[1-(3-METHYL-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-ETHYLIDENE]-MALONONITRILE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N5O
InChI InChI=1S/C8H7N5O/c1-5(6(3-9)4-10)13-8(14)2-7(11)12-13/h2H2,1H3,(H2,11,12)
InChIKey NLQKDLCKVWCCOK-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 189.176 g/mol
Sample ID 72460
Solvent DMSO-D6