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Z-4-(1,3-diphenyl pyrazol-4-yl)methylene-isochromene-1,3-dione
SpectraBase Compound ID FnBOIvhd95u
InChI InChI=1S/C25H16N2O3/c28-24-21-14-8-7-13-20(21)22(25(29)30-24)15-18-16-27(19-11-5-2-6-12-19)26-23(18)17-9-3-1-4-10-17/h1-16H/b22-15-
InChIKey PBVGEMPQKIZABA-JCMHNJIXSA-N
Mol Weight 392.41 g/mol
Molecular Formula C25H16N2O3
Exact Mass 392.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uMDR4V9zVR
Name Z-4-(1,3-Diphenyl pyrazol-4-yl)methylene-isochromene-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 392.116092380 u
Formula C25H16N2O3
InChI InChI=1S/C25H16N2O3/c28-24-21-14-8-7-13-20(21)22(25(29)30-24)15-18-16-27(19-11-5-2-6-12-19)26-23(18)17-9-3-1-4-10-17/h1-16H/b22-15-
InChIKey PBVGEMPQKIZABA-JCMHNJIXSA-N
Molecular Weight 392.414 g/mol
SMILES C1(OC(C=2C=CC=CC2\C1=C/C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=CC=C1)=O)=O