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2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 4wmC55TQDU6
InChI InChI=1S/C19H15N3O3/c1-12-16(19(25)22(20(12)2)13-8-4-3-5-9-13)21-17(23)14-10-6-7-11-15(14)18(21)24/h3-11H,1-2H3
InChIKey IPPCCZCGDDPWDT-UHFFFAOYSA-N
Mol Weight 333.35 g/mol
Molecular Formula C19H15N3O3
Exact Mass 333.111341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7AxvhM3tBa
Name 2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 333.111341352 u
Formula C19H15N3O3
InChI InChI=1S/C19H15N3O3/c1-12-16(19(25)22(20(12)2)13-8-4-3-5-9-13)21-17(23)14-10-6-7-11-15(14)18(21)24/h3-11H,1-2H3
InChIKey IPPCCZCGDDPWDT-UHFFFAOYSA-N
Molecular Weight 333.347 g/mol
SMILES C=1(N2C(C3=CC=CC=C3C2=O)=O)C(N(C2=CC=CC=C2)N(C1C)C)=O