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1-(4-Nitrophenyl)-3-phenyl-3,4-di(carboxyethyl)-pyrazolin

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(4-Nitrophenyl)-3-phenyl-3,4-di(carboxyethyl)-pyrazolin
SpectraBase Compound ID K6rYSWFPwo9
InChI InChI=1S/C21H21N3O6/c1-3-29-20(25)17-18(14-8-6-5-7-9-14)22-23(19(17)21(26)30-4-2)15-10-12-16(13-11-15)24(27)28/h5-13,17,19H,3-4H2,1-2H3
InChIKey MJYVSMSNRDCCSE-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H21N3O6
Exact Mass 411.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LviOTyham2T
Name 1-(4-Nitrophenyl)-3-phenyl-3,4-di(carboxyethyl)-pyrazolin
Comments Computed using HOSE algorithm
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Exact Mass 411.143035402 u
Formula C21H21N3O6
InChI InChI=1S/C21H21N3O6/c1-3-29-20(25)17-18(14-8-6-5-7-9-14)22-23(19(17)21(26)30-4-2)15-10-12-16(13-11-15)24(27)28/h5-13,17,19H,3-4H2,1-2H3
InChIKey MJYVSMSNRDCCSE-UHFFFAOYSA-N
Molecular Weight 411.414 g/mol
SMILES C1(=NN(C2=CC=C(C=C2)N(=O)=O)C(C1C(OCC)=O)C(OCC)=O)C1=CC=CC=C1