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3-(1-PHENOXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PERFLUORO-5-METHYLOCTADIENE-2,4
SpectraBase Compound ID 3oJQZ19sS1s
InChI InChI=1S/C18H5F21O/c19-8(9(13(23,24)25)12(21,22)15(29,30)18(37,38)39)7(10(20)14(26,27)28)11(16(31,32)33,17(34,35)36)40-6-4-2-1-3-5-6/h1-5H/b9-8+,10-7+
InChIKey NRNODJKSEDWKRR-DGLUDJRXSA-N
Mol Weight 636.2 g/mol
Molecular Formula C18H5F21O
Exact Mass 636.000506 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaeDOMdveTT
Name 3-(1-PHENOXY-1-TRIFLUOROMETHYL-2,2,2-TRIFLUOROETHYL)PERFLUORO-5-METHYLOCTADIENE-2,4
Comments (E) CONFIGURATION IS DEDUCED FROM J(F-F) (S.T.). SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H5F21O
InChI InChI=1S/C18H5F21O/c19-8(9(13(23,24)25)12(21,22)15(29,30)18(37,38)39)7(10(20)14(26,27)28)11(16(31,32)33,17(34,35)36)40-6-4-2-1-3-5-6/h1-5H/b9-8+,10-7+
InChIKey NRNODJKSEDWKRR-DGLUDJRXSA-N
Instrument Name SEE COMMENT
Literature Reference A.A.STEPANOV, G.YA.BEKKER, A.P.KURBAKOVA, L.A.LEITES, I.N.ROZHKOV (1981)Izv.Akad.Nauk SSSR(Russ. Lang.): N12, 2746-2750.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported