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3,3,5,5-TETRAPHENYL-3,5-DIPHOSPHONIACYCLOHEXANONE DI(TRIFLUOROACETATE),ENOL
SpectraBase Compound ID JSPx5wJdVlJ
InChI InChI=1S/C28H25OP2.2C2HF3O2/c29-24-21-30(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31(22-24,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*3-2(4,5)1(6)7/h1-21H,22-23H2;2*(H,6,7)/q+1;;/p-1
InChIKey DITDOVGXWLCZDV-UHFFFAOYSA-M
Mol Weight 666.493 g/mol
Molecular Formula C32H26F6O5P2
Exact Mass 666.115967 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 253XX2UDXEH
Name 3,3,5,5-TETRAPHENYL-3,5-DIPHOSPHONIACYCLOHEXANONE DI(TRIFLUOROACETATE),ENOL
Comments , 25% OF ENOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H26F6O5P2
InChI InChI=1S/C28H25OP2.2C2HF3O2/c29-24-21-30(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31(22-24,27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*3-2(4,5)1(6)7/h1-21H,22-23H2;2*(H,6,7)/q+1;;/p-1
InChIKey DITDOVGXWLCZDV-UHFFFAOYSA-M
Instrument Name Bruker HX-90
Literature Reference T.A.MASTRYUKOVA, KH.A.SUERBAEV, P.V.PETROVSKY, E.I.MATROSOV, M.I.KABACHNIK(1972) Zhurn.Obsch.Khim.(Russ. Lang.): v.42, N12, 2620-2625.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH trifluoroace