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3-(META-FLUOROPHENYL)-2-TRIFLUOROMETHYL-1,1,1-TRIFLUOROPROP-2-ENE
SpectraBase Compound ID 5TMAbvQTwny
InChI InChI=1S/C10H4F8/c11-6-3-1-2-5(4-6)7(12)8(9(13,14)15)10(16,17)18/h1-4H
InChIKey IIRGOFZOKJMINK-UHFFFAOYSA-N
Mol Weight 276.13 g/mol
Molecular Formula C10H4F8
Exact Mass 276.018525 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ci46avXUmys
Name 3-(META-FLUOROPHENYL)-2-TRIFLUOROMETHYL-1,1,1-TRIFLUOROPROP-2-ENE
Comments CIS AND TRANS CF3 ARE ASSIGNED EXACTLY. ERRATA: 20.5 - SIGN INVERTED;H-60 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H4F8
InChI InChI=1S/C10H4F8/c11-6-3-1-2-5(4-6)7(12)8(9(13,14)15)10(16,17)18/h1-4H
InChIKey IIRGOFZOKJMINK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference E.P.LUR'E, E.G.GAL'PERIN, N.P.GAMBARYAN, E.M.ROKHLIN, E.I.MYSOV (1980)Izv.Akad.Nauk SSSR(Russ. Lang.): N3, 619-625.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported