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2-[2'-(Triphenylphosphorylideneamino)phenyl]-2,3-dihydro-1H-perimidine
SpectraBase Compound ID LAHSLigIjJ
InChI InChI=1S/C35H28N3P/c1-4-16-27(17-5-1)39(28-18-6-2-7-19-28,29-20-8-3-9-21-29)38-31-23-11-10-22-30(31)35-36-32-24-12-14-26-15-13-25-33(37-35)34(26)32/h1-25,35-37H
InChIKey HVVJUPLUXQFLAF-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C35H28N3P
Exact Mass 521.202085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3v8okoCescS
Name 2-[2'-(Triphenylphosphorylideneamino)phenyl]-2,3-dihydro-1H-perimidine
Comments Computed using HOSE algorithm
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Exact Mass 521.202084912 u
Formula C35H28N3P
InChI InChI=1S/C35H28N3P/c1-4-16-27(17-5-1)39(28-18-6-2-7-19-28,29-20-8-3-9-21-29)38-31-23-11-10-22-30(31)35-36-32-24-12-14-26-15-13-25-33(37-35)34(26)32/h1-25,35-37H
InChIKey HVVJUPLUXQFLAF-UHFFFAOYSA-N
Molecular Weight 521.604 g/mol
SMILES C1(NC2=CC=CC=3C2=C(N1)C=CC3)C1=C(N=P(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1