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3-HYDROPERFLUORO-2-METHYL-3-HEPTANOL-1,4-DIOXANE 2:1 COMPLEX
SpectraBase Compound ID 9HVSlStTIVe
InChI InChI=1S/C20H12F32O4/c21-7(15(35,36)37,16(38,39)40)5(9(23,24)11(27,28)13(31,32)19(47,48)49)53-57-55-1-2-56(4-3-55)58-54-6(8(22,17(41,42)43)18(44,45)46)10(25,26)12(29,30)14(33,34)20(50,51)52/h5-6H,1-4H2
InChIKey HGKXKBZXTJLENH-UHFFFAOYSA-N
Mol Weight 926.28 g/mol
Molecular Formula C20H14F32O4
Exact Mass 926.03811 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWBaKTGqVmy
Name 3-HYDROPERFLUORO-2-METHYL-3-HEPTANOL-1,4-DIOXANE 2:1 COMPLEX
Comments SCALE INVERTED;CLA-5535
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H14F32O4
InChI InChI=1S/C20H12F32O4/c21-7(15(35,36)37,16(38,39)40)5(9(23,24)11(27,28)13(31,32)19(47,48)49)53-57-55-1-2-56(4-3-55)58-54-6(8(22,17(41,42)43)18(44,45)46)10(25,26)12(29,30)14(33,34)20(50,51)52/h5-6H,1-4H2
InChIKey HGKXKBZXTJLENH-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