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1-TRIFLUOROMETHYL-4,4,7-TRIFLUOROADAMANTANE
SpectraBase Compound ID j6Nj45jsay
InChI InChI=1S/C11H12F6/c12-9-3-6-1-8(5-9,11(15,16)17)2-7(4-9)10(6,13)14/h6-7H,1-5H2/t6-,7+,8+,9-
InChIKey IJQKHKJOFILEEM-OJOKCITNSA-N
Mol Weight 258.21 g/mol
Molecular Formula C11H12F6
Exact Mass 258.084319 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOSlNm5sQc8
Name 1-TRIFLUOROMETHYL-4,4,7-TRIFLUOROADAMANTANE
Comments SCALE INVERTED. CARCAS STRUCTURE.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12F6
InChI InChI=1S/C11H12F6/c12-9-3-6-1-8(5-9,11(15,16)17)2-7(4-9)10(6,13)14/h6-7H,1-5H2/t6-,7+,8+,9-
InChIKey IJQKHKJOFILEEM-OJOKCITNSA-N
Instrument Name Tesla BS487
Literature Reference A.E.SOROCHINSKY, A.M.ALEXANDROV, V.F.GAMALEYA, V.P.KUKHAR (1981)Zhurn.Org.Khim.(Russ. Lang.): v.17, N8, 1642-1648.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl