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1-THIOXO-3,5,8-TRIS(TRICHLOROMETHYL)-1,4-DIPHOSPHA-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
SpectraBase Compound ID 6A35902Vzb2
InChI InChI=1S/C6H3Cl9O3P2S/c7-4(8,9)1-16-20(21)17-2(5(10,11)12)19(1)3(18-20)6(13,14)15/h1-3H/t1-,2-,3-,19?,20-/m1/s1
InChIKey XPNRZEMPPPTVJC-KZMDPKMSSA-N
Mol Weight 536.2 g/mol
Molecular Formula C6H3Cl9O3P2S
Exact Mass 531.647488 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvV6Vcqyuee
Name 1-THIOXO-3,5,8-TRIS(TRICHLOROMETHYL)-1,4-DIPHOSPHA-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
Comments , SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H3Cl9O3P2S
InChI InChI=1S/C6H3Cl9O3P2S/c7-4(8,9)1-16-20(21)17-2(5(10,11)12)19(1)3(18-20)6(13,14)15/h1-3H/t1-,2-,3-,19?,20-/m1/s1
InChIKey XPNRZEMPPPTVJC-KZMDPKMSSA-N
Instrument Name Bruker HX-90
Literature Reference E.S.KOZLOV, A.V.SOLOV'EV, L.N.MARKOVSKY (1978) Zhurn.Obsch.Khim.(Russ. Lang.):v.48, N11, 2437-2442.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C4H8O2 ethylacetate