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3-HYDROPERFLUORO-2-METHYL-3-NONANOL-1,4-DIOXANE 2:1 COMPLEX
SpectraBase Compound ID HTXS4hlXrBp
InChI InChI=1S/C24H12F40O4/c25-7(19(47,48)49,20(50,51)52)5(9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)23(59,60)61)65-69-67-1-2-68(4-3-67)70-66-6(8(26,21(53,54)55)22(56,57)58)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)24(62,63)64/h5-6H,1-4H2
InChIKey BWYBMDWONQHIEN-UHFFFAOYSA-N
Mol Weight 1126.31 g/mol
Molecular Formula C24H14F40O4
Exact Mass 1126.025335 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbVbqp4WCy0
Name 3-HYDROPERFLUORO-2-METHYL-3-NONANOL-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 C24H14F40O4
InChI InChI=1S/C24H12F40O4/c25-7(19(47,48)49,20(50,51)52)5(9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)23(59,60)61)65-69-67-1-2-68(4-3-67)70-66-6(8(26,21(53,54)55)22(56,57)58)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)24(62,63)64/h5-6H,1-4H2
InChIKey BWYBMDWONQHIEN-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