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3,5-Dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine
SpectraBase Compound ID 499R5PlYisp
InChI InChI=1S/C21H17N5/c1-14-18-13-19-15(2)24-26(17-11-7-4-8-12-17)21(19)22-20(18)25(23-14)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKey XWFGBIBPMRSLGM-UHFFFAOYSA-N
Mol Weight 339.4 g/mol
Molecular Formula C21H17N5
Exact Mass 339.148396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQZ3490my4y
Name 3,5-Dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-B:4',3'-E]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 339.148395567 u
Formula C21H17N5
InChI InChI=1S/C21H17N5/c1-14-18-13-19-15(2)24-26(17-11-7-4-8-12-17)21(19)22-20(18)25(23-14)16-9-5-3-6-10-16/h3-13H,1-2H3
InChIKey XWFGBIBPMRSLGM-UHFFFAOYSA-N
Molecular Weight 339.402 g/mol
SMILES C1=2C(=CC3=C(N2)N(N=C3C)C=2C=CC=CC2)C(=NN1C=1C=CC=CC1)C