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3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-3-OXO-PROPANENITRILE
SpectraBase Compound ID AgQVKlu1c1A
InChI InChI=1S/C14H13N3O2/c1-10-13(12(18)8-9-15)14(19)17(16(10)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey PAWQBVMGYWIBBP-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqVViSNCiKQ
Name 3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-3-OXO-PROPANENITRILE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-10-13(12(18)8-9-15)14(19)17(16(10)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey PAWQBVMGYWIBBP-UHFFFAOYSA-N
Literature Reference Author H.M.AL-MATAR,K.D.KHALIL,M.F.AL-KANDERI,M.H.ELNAGDI
Literature Reference Citation MOLECULES,17,897(2012)
Literature Reference DOI 10.3390/molecules17010897
Molecular Weight 255.276 g/mol
Sample ID 73051
Solvent DMSO-D6