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1-N-(Pyrazin-2-yl)-2-N-(triphenyl-lambda5-phosphanylidene)benzene-1,2-diamine

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1-N-(Pyrazin-2-yl)-2-N-(triphenyl-lambda5-phosphanylidene)benzene-1,2-diamine
SpectraBase Compound ID LvBvG0ozowU
InChI InChI=1S/C28H23N4P/c1-4-12-23(13-5-1)33(24-14-6-2-7-15-24,25-16-8-3-9-17-25)32-27-19-11-10-18-26(27)31-28-22-29-20-21-30-28/h1-22H,(H,30,31)
InChIKey KJKQIZONBIVJPK-UHFFFAOYSA-N
Mol Weight 446.49 g/mol
Molecular Formula C28H23N4P
Exact Mass 446.166034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65j1YLLTO6A
Name 1-N-(Pyrazin-2-yl)-2-N-(triphenyl-LAMBDA5-phosphanylidene)benzene-1,2-diamine
Comments Computed using HOSE algorithm
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Exact Mass 446.166033755 u
Formula C28H23N4P
InChI InChI=1S/C28H23N4P/c1-4-12-23(13-5-1)33(24-14-6-2-7-15-24,25-16-8-3-9-17-25)32-27-19-11-10-18-26(27)31-28-22-29-20-21-30-28/h1-22H,(H,30,31)
InChIKey KJKQIZONBIVJPK-UHFFFAOYSA-N
Molecular Weight 446.494 g/mol
SMILES C=1(C(=CC=CC1)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC=1C=NC=CN1