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Methyl ester of (Z)-.alpha.-(2-phenoxy-2-phenylethenyl)-3,5-diphenyl-1H-pyrazole-1-acetic acid
SpectraBase Compound ID 7AX7sHV8kyf
InChI InChI=1S/C32H26N2O3/c1-36-32(35)30(23-31(26-18-10-4-11-19-26)37-27-20-12-5-13-21-27)34-29(25-16-8-3-9-17-25)22-28(33-34)24-14-6-2-7-15-24/h2-23,30H,1H3/b31-23-
InChIKey FRFGJDBYEINQOW-SXBRIOAWSA-N
Mol Weight 486.6 g/mol
Molecular Formula C32H26N2O3
Exact Mass 486.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dco1wf7mq0c
Name Methyl ester of (Z)-.alpha.-(2-phenoxy-2-phenylethenyl)-3,5-diphenyl-1H-pyrazole-1-acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 486.194342702 u
Formula C32H26N2O3
InChI InChI=1S/C32H26N2O3/c1-36-32(35)30(23-31(26-18-10-4-11-19-26)37-27-20-12-5-13-21-27)34-29(25-16-8-3-9-17-25)22-28(33-34)24-14-6-2-7-15-24/h2-23,30H,1H3/b31-23-
InChIKey FRFGJDBYEINQOW-SXBRIOAWSA-N
Molecular Weight 486.571 g/mol
SMILES C1(=NN(C(=C1)C=1C=CC=CC1)C(\C=C\(OC=1C=CC=CC1)C=1C=CC=CC1)C(=O)OC)C1=CC=CC=C1