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t-Butyl 2-(triphenylphosphoranylideneamino)nicotinamide

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

t-Butyl 2-(triphenylphosphoranylideneamino)nicotinamide
SpectraBase Compound ID 2r4Z5x9jt2Y
InChI InChI=1S/C28H28N3OP/c1-28(2,3)30-27(32)25-20-13-21-29-26(25)31-33(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-21H,1-3H3,(H,30,32)
InChIKey PMQFJFBYZMLIPQ-UHFFFAOYSA-N
Mol Weight 453.53 g/mol
Molecular Formula C28H28N3OP
Exact Mass 453.197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47lDJhND43c
Name T-Butyl 2-(triphenylphosphoranylideneamino)nicotinamide
Comments Computed using HOSE algorithm
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Exact Mass 453.196999531 u
Formula C28H28N3OP
InChI InChI=1S/C28H28N3OP/c1-28(2,3)30-27(32)25-20-13-21-29-26(25)31-33(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-21H,1-3H3,(H,30,32)
InChIKey PMQFJFBYZMLIPQ-UHFFFAOYSA-N
Molecular Weight 453.526 g/mol
SMILES C1(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C=2C=CC=CC2)=C(C(NC(C)(C)C)=O)C=CC=N1