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4-tert-Butyl-2,2':6",2"'-quaterpyridine
SpectraBase Compound ID IIFyRjdFZn2
InChI InChI=1S/C24H22N4/c1-24(2,3)17-13-15-26-23(16-17)22-12-7-11-21(28-22)20-10-6-9-19(27-20)18-8-4-5-14-25-18/h4-16H,1-3H3
InChIKey ACHMNUHTOBTDOW-UHFFFAOYSA-N
Mol Weight 366.47 g/mol
Molecular Formula C24H22N4
Exact Mass 366.184447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CA0UGqvEUm2
Name 4-Tert-butyl-2,2':6'',2'''-quaterpyridine
Comments Computed using HOSE algorithm
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Exact Mass 366.184446724 u
Formula C24H22N4
InChI InChI=1S/C24H22N4/c1-24(2,3)17-13-15-26-23(16-17)22-12-7-11-21(28-22)20-10-6-9-19(27-20)18-8-4-5-14-25-18/h4-16H,1-3H3
InChIKey ACHMNUHTOBTDOW-UHFFFAOYSA-N
Molecular Weight 366.468 g/mol
SMILES C1(=NC(=CC=C1)C=1C=C(C(C)(C)C)C=CN1)C1=NC(C=2N=CC=CC2)=CC=C1