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2,4,4,6,6-PENTACHLORO-5,5,6-TRIFLUOROHEXYLPHOSPHONIC ACID
SpectraBase Compound ID D21jbbd72MY
InChI InChI=1S/C6H7Cl5F3O3P/c7-3(2-18(15,16)17)1-4(8,9)5(12,13)6(10,11)14/h3H,1-2H2,(H2,15,16,17)
InChIKey ZPEMAOXQSRRFRK-UHFFFAOYSA-N
Mol Weight 392.4 g/mol
Molecular Formula C6H7Cl5F3O3P
Exact Mass 389.852754 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFNPXpuDA1w
Name 2,4,4,6,6-PENTACHLORO-5,5,6-TRIFLUOROHEXYLPHOSPHONIC ACID
Comments SCALE INVERTED. REASSIGNED (A.Y.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7Cl5F3O3P
InChI InChI=1S/C6H7Cl5F3O3P/c7-3(2-18(15,16)17)1-4(8,9)5(12,13)6(10,11)14/h3H,1-2H2,(H2,15,16,17)
InChIKey ZPEMAOXQSRRFRK-UHFFFAOYSA-N
Instrument Name Jeol JNM-PS-100
Literature Reference B.BOUTEVIN, Y.HERVAUD, Y.PIETRASANTA (1984) Phosphorus and Sulfur: v.20, N2,189-196.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported