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2,3,4,7-Tetraphenylpyrazolo[3,4-D]pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,3,4,7-Tetraphenylpyrazolo[3,4-D]pyridazine
SpectraBase Compound ID EIbwVxardCd
InChI InChI=1S/C29H20N4/c1-5-13-21(14-6-1)26-25-28(27(31-30-26)22-15-7-2-8-16-22)32-33(24-19-11-4-12-20-24)29(25)23-17-9-3-10-18-23/h1-20H
InChIKey XIMRQXVUSFLJSV-UHFFFAOYSA-N
Mol Weight 424.51 g/mol
Molecular Formula C29H20N4
Exact Mass 424.168797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVkmqu85vmi
Name 2,3,4,7-Tetraphenylpyrazolo[3,4-D]pyridazine
Comments Computed using HOSE algorithm
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Exact Mass 424.168796660 u
Formula C29H20N4
InChI InChI=1S/C29H20N4/c1-5-13-21(14-6-1)26-25-28(27(31-30-26)22-15-7-2-8-16-22)32-33(24-19-11-4-12-20-24)29(25)23-17-9-3-10-18-23/h1-20H
InChIKey XIMRQXVUSFLJSV-UHFFFAOYSA-N
Molecular Weight 424.507 g/mol
SMILES C1=2C(=NN(C2C2=CC=CC=C2)C=2C=CC=CC2)C(C2=CC=CC=C2)=NN=C1C=1C=CC=CC1