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PYRIDINIUM ORTHO-(2,6-BIS(TRICHLOROMETHYL)-4-PHENYL-3,5,4-DIOXABORAPHOSPHORINANYL)PHENOLATE, PYRIDINIUM COMPLEX
SpectraBase Compound ID DoXGcMvdb56
InChI InChI=1S/C21H17BCl6NO3P.C5H5N/c23-20(24,25)18-31-22(15-9-3-1-4-10-15,29-13-7-2-8-14-29)32-19(21(26,27)28)33(18)17-12-6-5-11-16(17)30;1-2-4-6-5-3-1/h1-14,18-19,30H;1-5H/t18-,19-,22-,33?;/m0./s1
InChIKey PLHWNTXVJZJMOX-LNXVHNKWSA-N
Mol Weight 665.0 g/mol
Molecular Formula C26H22BCl6N2O3P
Exact Mass 661.959226 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdEPG4TvoYC
Name PYRIDINIUM ORTHO-(2,6-BIS(TRICHLOROMETHYL)-4-PHENYL-3,5,4-DIOXABORAPHOSPHORINANYL)PHENOLATE, PYRIDINIUM COMPLEX
Comments , 31P-{1H}. MAY BE WM-250 (BRUKER). CARCAS STRUCTURE. ASSIGNMENT OF;KGU-4 (RUSSIAN) (31P
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H22BCl6N2O3P
InChI InChI=1S/C21H17BCl6NO3P.C5H5N/c23-20(24,25)18-31-22(15-9-3-1-4-10-15,29-13-7-2-8-14-29)32-19(21(26,27)28)33(18)17-12-6-5-11-16(17)30;1-2-4-6-5-3-1/h1-14,18-19,30H;1-5H/t18-,19-,22-,33?;/m0./s1
InChIKey PLHWNTXVJZJMOX-LNXVHNKWSA-N
Instrument Name SEE COMMENT
Literature Reference A.S.BALUEVA, G.N.NIKONOV, S.G.VUL'FSON, N.N.SARVAROVA, B.A.ARBUZOV (1991)Izv.Akad.Nauk SSSR(Russ. Lang.): N2, 477-482.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene