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2-(4-Triphenylphosphoniophenyl)-1H-phenanthro-[9,10-D]-imidazolide

View entire compound with spectra: 2 NMR

2-(4-Triphenylphosphoniophenyl)-1H-phenanthro-[9,10-D]-imidazolide
SpectraBase Compound ID 4anXrt4vzLh
InChI InChI=1S/C39H27N2P/c1-4-14-29(15-5-1)42(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-26-24-28(25-27-32)39-40-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38(37)41-39/h1-27H
InChIKey MXFRDMITYJUSLG-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 6uMqsrEvb2q
Name 2-(4-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/c1-4-14-29(15-5-1)42(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-26-24-28(25-27-32)39-40-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)38(37)41-39/h1-27H
InChIKey MXFRDMITYJUSLG-UHFFFAOYSA-N
Molecular Weight 554.633 g/mol
SMILES C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(C2=NC3=C4C=CC=CC4=C4C=CC=CC4=C3[N-]2)C=C1