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(E)-3-(ALPHA-HYDROHEXAFLUOROISOPROPYL)-1,1,1,2,2-PENTAFLUORO-4-AZAHEXA-3,5-DIENE (ROTAMER 1)
SpectraBase Compound ID 2tmwBEHA79p
InChI InChI=1S/C8H4F11N/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2-3H,1H2/b20-4+
InChIKey AHZTXEBHUYUUNH-LRNAUUFOSA-N
Mol Weight 323.11 g/mol
Molecular Formula C8H4F11N
Exact Mass 323.016809 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fNlOJ58Z4W
Name (E)-3-(ALPHA-HYDROHEXAFLUOROISOPROPYL)-1,1,1,2,2-PENTAFLUORO-4-AZAHEXA-3,5-DIENE (ROTAMER 2)
Comments C-C SINGLE BOND ROTAMER. SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4F11N
InChI InChI=1S/C8H4F11N/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2-3H,1H2/b20-4+
InChIKey AHZTXEBHUYUUNH-LRNAUUFOSA-N
Instrument Name SEE COMMENT
Literature Reference V.F.SNEGIREV, E.V.ZAKHAROVA, K.N.MAKAROV (1985) Izv.Akad.Nauk SSSR(Russ.Lang.): N6, 1352-1363.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported