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[2-(1H-perimidin-2-yl)phenyl]imino-triphenyl-phosphorane

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[2-(1H-perimidin-2-yl)phenyl]imino-triphenyl-phosphorane
SpectraBase Compound ID D2E7IMCJDuy
InChI InChI=1S/C35H26N3P/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/h1-25H,(H,36,37)
InChIKey GRDQKMJAOHGVOG-UHFFFAOYSA-N
Mol Weight 519.6 g/mol
Molecular Formula C35H26N3P
Exact Mass 519.186435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5H80O9HK2zb
Name [2-(1H-Perimidin-2-yl)phenyl]imino-triphenyl-phosphorane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.186434847 u
Formula C35H26N3P
InChI InChI=1S/C35H26N3P/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/h1-25H,(H,36,37)
InChIKey GRDQKMJAOHGVOG-UHFFFAOYSA-N
Molecular Weight 519.588 g/mol
SMILES C1(=NC2=CC=CC3=C2C(N1)=CC=C3)C=1C(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C2=CC=CC=C2)=CC=CC1