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2-(2-Triphenylphosphoniophenyl)-1H-phenanthro-[9,10-D]-imidazolide

View entire compound with spectra: 2 NMR

2-(2-Triphenylphosphoniophenyl)-1H-phenanthro-[9,10-D]-imidazolide
SpectraBase Compound ID AoydyQXjZju
InChI InChI=1S/C39H27N2P/c1-4-16-28(17-5-1)42(29-18-6-2-7-19-29,30-20-8-3-9-21-30)36-27-15-14-26-35(36)39-40-37-33-24-12-10-22-31(33)32-23-11-13-25-34(32)38(37)41-39/h1-27H
InChIKey OJPMPEVDUIQPPS-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C39H27N2P
Exact Mass 554.191186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVnex91q1Eu
Name 2-(2-Triphenylphosphoniophenyl)-1H-phenanthro-[9,10-D]-imidazolide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.191185875 u
Formula C39H27N2P
InChI InChI=1S/C39H27N2P/c1-4-16-28(17-5-1)42(29-18-6-2-7-19-29,30-20-8-3-9-21-30)36-27-15-14-26-35(36)39-40-37-33-24-12-10-22-31(33)32-23-11-13-25-34(32)38(37)41-39/h1-27H
InChIKey OJPMPEVDUIQPPS-UHFFFAOYSA-N
Molecular Weight 554.633 g/mol
SMILES C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C(C2=NC3=C4C=CC=CC4=C4C=CC=CC4=C3[N-]2)C=CC=C1