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2-[(3-AMINO-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-(4-METHOXYPHENYL)-METHYLENE]-MALONONITRILE

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2-[(3-AMINO-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-(4-METHOXYPHENYL)-METHYLENE]-MALONONITRILE
SpectraBase Compound ID GK5NdnROD1M
InChI InChI=1S/2C14H11N5O2/c2*1-21-11-4-2-9(3-5-11)14(10(7-15)8-16)19-13(20)6-12(17)18-19/h2*2-5H,6H2,1H3,(H2,17,18)
InChIKey XMLZGVJHFFRDFZ-UHFFFAOYSA-N
Mol Weight 562.55 g/mol
Molecular Formula C28H22N10O4
Exact Mass 562.182549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlMLBpblAmi
Name 2-[(3-AMINO-5-OXO-4,5-DIHYDROPYRAZOL-1-YL)-(4-METHOXYPHENYL)-METHYLENE]-MALONONITRILE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22N10O4
InChI InChI=1S/2C14H11N5O2/c2*1-21-11-4-2-9(3-5-11)14(10(7-15)8-16)19-13(20)6-12(17)18-19/h2*2-5H,6H2,1H3,(H2,17,18)
InChIKey XMLZGVJHFFRDFZ-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 562.547 g/mol
Sample ID 72458
Solvent DMSO-D6