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3,4,5-TRIS(TRIFLUOROMETHYL)BENZOIC ACID
SpectraBase Compound ID HaaM9VEZ2Am
InChI InChI=1S/C10H3F9O2/c11-8(12,13)4-1-3(7(20)21)2-5(9(14,15)16)6(4)10(17,18)19/h1-2H,(H,20,21)
InChIKey XZRSCQBWPJVEGQ-UHFFFAOYSA-N
Mol Weight 326.12 g/mol
Molecular Formula C10H3F9O2
Exact Mass 325.998933 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEQQQtWb27N
Name 3,4,5-TRIS(TRIFLUOROMETHYL)BENZOIC ACID
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H3F9O2
InChI InChI=1S/C10H3F9O2/c11-8(12,13)4-1-3(7(20)21)2-5(9(14,15)16)6(4)10(17,18)19/h1-2H,(H,20,21)
InChIKey XZRSCQBWPJVEGQ-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference V.G.LUKMANOV, L.A.ALEKSEEVA, L.M.YAGUPOL'SKY (1977) Zhurn.Org.Khim.(Russ.Lang.): v.13, N10, 2129-2135.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone