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1-(4-Benzoylbenzyl)-pyridinium-tetraphenylborate;pytb

View entire compound with spectra: 2 NMR

1-(4-Benzoylbenzyl)-pyridinium-tetraphenylborate;pytb
SpectraBase Compound ID EraszCtjE00
InChI InChI=1S/C24H20B.C19H16NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;21-19(17-7-3-1-4-8-17)18-11-9-16(10-12-18)15-20-13-5-2-6-14-20/h1-20H;1-14H,15H2/q-1;+1
InChIKey OXULOSNBNDPOFQ-UHFFFAOYSA-N
Mol Weight 593.58 g/mol
Molecular Formula C43H36BNO
Exact Mass 593.288995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qFtsZrN0gk
Name 1-(4-Benzoylbenzyl)-pyridinium-tetraphenylborate;pytb
Comments Computed using HOSE algorithm
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Exact Mass 593.288994952 u
Formula C43H36BNO
InChI InChI=1S/C24H20B.C19H16NO/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;21-19(17-7-3-1-4-8-17)18-11-9-16(10-12-18)15-20-13-5-2-6-14-20/h1-20H;1-14H,15H2/q-1;+1
InChIKey OXULOSNBNDPOFQ-UHFFFAOYSA-N
SMILES C1([B-](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1.C(=O)(C=1C=CC=CC1)C1=CC=C(C=C1)C[N+]=1C=CC=CC1