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3-HYDROPERFLUORO-2-METHYL-3-PENTANOL-1,4-DIOXANE 2:1 COMPLEX
SpectraBase Compound ID COv54ETzbMq
InChI InChI=1S/C16H12F24O4/c17-7(11(23,24)25,12(26,27)28)5(9(19,20)15(35,36)37)41-45-43-1-2-44(4-3-43)46-42-6(10(21,22)16(38,39)40)8(18,13(29,30)31)14(32,33)34/h5-6H,1-4H2
InChIKey UFLNTDZENQWPQV-UHFFFAOYSA-N
Mol Weight 726.25 g/mol
Molecular Formula C16H14F24O4
Exact Mass 726.050885 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQrYo7TAobw
Name 3-HYDROPERFLUORO-2-METHYL-3-PENTANOL-1,4-DIOXANE 2:1 COMPLEX
Comments 125.9 CENTER OF AB SYSTEM. SCALE INVERTED;CLA-5535
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14F24O4
InChI InChI=1S/C16H12F24O4/c17-7(11(23,24)25,12(26,27)28)5(9(19,20)15(35,36)37)41-45-43-1-2-44(4-3-43)46-42-6(10(21,22)16(38,39)40)8(18,13(29,30)31)14(32,33)34/h5-6H,1-4H2
InChIKey UFLNTDZENQWPQV-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference YA.M.VILENCHIK, G.I.LEKONTSEVA, L.S.SEMERIKOVA, E.A.OSTAPENKO, P.K.NEIFELD,K.I.FROLOV, N.B.POSPELOVA, V.A.PONOMARENKO (1983) Zhurn.Org.Khim.(Russ. Lang.):v.19, N5, 1100-1103.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C4H8O2 dioxane