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1-N-TERT-BUTYLCARBAMOYL-2,2-BIS(TRIFLUOROMETHYL)ETHENYL ALPHA-HYDROHEXAFLUOROISOBUTYRATE
SpectraBase Compound ID LWx2ykuJJtX
InChI InChI=1S/C13H11F12NO3/c1-9(2,3)26-7(27)4(5(10(14,15)16)11(17,18)19)29-8(28)6(12(20,21)22)13(23,24)25/h6H,1-3H3,(H,26,27)
InChIKey WJXGXHKKMOBRFV-UHFFFAOYSA-N
Mol Weight 457.22 g/mol
Molecular Formula C13H11F12NO3
Exact Mass 457.054731 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sKCNlf4Un
Name 1-N-TERT-BUTYLCARBAMOYL-2,2-BIS(TRIFLUOROMETHYL)ETHENYL ALPHA-HYDROHEXAFLUOROISOBUTYRATE
Comments SCALE INVERTED. 17.7, 19.1 WERE ASSIGNED TO CIS AND TRANS CF3 DUE TO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F12NO3
InChI InChI=1S/C13H11F12NO3/c1-9(2,3)26-7(27)4(5(10(14,15)16)11(17,18)19)29-8(28)6(12(20,21)22)13(23,24)25/h6H,1-3H3,(H,26,27)
InChIKey WJXGXHKKMOBRFV-UHFFFAOYSA-N
Instrument Name PE R-12A
Literature Reference E.G.TERT-GABRIELYAN, E.A.AVETISYAN, N.P.GAMBARYAN (1973) Izv.Akad.NaukSSSR(Russ. Lang.): N11, 2562-2566.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H3N acetonitrile