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1-N-(4-Chlorophenyl)-4-methyl-2-N-(triphenyl-lambda5-phosphanylidene)benzene-1,2-diamine
SpectraBase Compound ID 4Yy5EFpOXD2
InChI InChI=1S/C31H26ClN2P/c1-24-17-22-30(33-26-20-18-25(32)19-21-26)31(23-24)34-35(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-23,33H,1H3
InChIKey QTPUGMWGODKWJI-UHFFFAOYSA-N
Mol Weight 492.99 g/mol
Molecular Formula C31H26ClN2P
Exact Mass 492.152214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNlUGbkYqSR
Name 1-N-(4-Chlorophenyl)-4-methyl-2-N-(triphenyl-LAMBDA5-phosphanylidene)benzene-1,2-diamine
Comments Computed using HOSE algorithm
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Exact Mass 492.152213543 u
Formula C31H26ClN2P
InChI InChI=1S/C31H26ClN2P/c1-24-17-22-30(33-26-20-18-25(32)19-21-26)31(23-24)34-35(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-23,33H,1H3
InChIKey QTPUGMWGODKWJI-UHFFFAOYSA-N
Molecular Weight 492.990 g/mol
SMILES C=1(C(=CC(=CC1)C)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)Cl