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benzeneacetic acid, alpha,4-dihydroxy-3,5-dimethyl-alpha-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 3oA4VSu2olm
InChI InChI=1S/C12H13F3O4/c1-6-4-8(5-7(2)9(6)16)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3
InChIKey APAZXFNEEOKAKL-UHFFFAOYSA-N
Mol Weight 278.23 g/mol
Molecular Formula C12H13F3O4
Exact Mass 278.076593 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4ho7zzCL3s
Name 4-(1-HYDROXY-1-CARBOMETHOXYTRIFLUOROETHYL)-2,6-DIMETHYLPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13F3O4
InChI InChI=1S/C12H13F3O4/c1-6-4-8(5-7(2)9(6)16)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3
InChIKey APAZXFNEEOKAKL-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1989) Izv.Akad.NaukSSSR(Russ. Lang.): N4, 923-928.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d