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TRIETHYLAMMONIUM TRIS(3,5-DI-TERT-BUTYL-1,2-PHENYLENEDIOXY)PHOSPHORATE
SpectraBase Compound ID Dc0CYERxGCV
InChI InChI=1S/C42H66O6P.C6H15N/c1-37(2,3)25-19-28(40(10,11)12)34-31(22-25)43-49(46-34,44-32-23-26(38(4,5)6)20-29(35(32)47-49)41(13,14)15)45-33-24-27(39(7,8)9)21-30(36(33)48-49)42(16,17)18;1-4-7(5-2)6-3/h19-24,31-36H,1-18H3;4-6H2,1-3H3/q-1;/p+1
InChIKey KQQSJCNESPCFOK-UHFFFAOYSA-O
Mol Weight 800.2 g/mol
Molecular Formula C48H82NO6P
Exact Mass 799.587976 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4QJ53Wlnav
Name TRIETHYLAMMONIUM TRIS(3,5-DI-TERT-BUTYL-1,2-PHENYLENEDIOXY)PHOSPHORATE
Comments , TWO ISOMERS, C=0.1M, {H};KGU-4 (RUSSIAN) (31P
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H82NO6P
InChI InChI=1S/C42H66O6P.C6H15N/c1-37(2,3)25-19-28(40(10,11)12)34-31(22-25)43-49(46-34,44-32-23-26(38(4,5)6)20-29(35(32)47-49)41(13,14)15)45-33-24-27(39(7,8)9)21-30(36(33)48-49)42(16,17)18;1-4-7(5-2)6-3/h19-24,31-36H,1-18H3;4-6H2,1-3H3/q-1;/p+1
InChIKey KQQSJCNESPCFOK-UHFFFAOYSA-O
Instrument Name SEE COMMENT
Literature Reference M.I.KABACHNIK, D.I.LOBANOV, P.V.PETROVSKY (1979) Izv.Akad.Nauk SSSR(Russ.Lang.): N10, 2398-2398.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene