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alpha,alpha,alpha-TRIFLUORO-m-TOLUIC ACID
SpectraBase Compound ID 6COaGjEKS8P
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
Mol Weight 190.12 g/mol
Molecular Formula C8H5F3O2
Exact Mass 190.024164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ynNM6CAEGK
Name 3-Trifluoromethyl-benzoic acid
CAS Registry Number 454-92-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5F3O2
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
Instrument Name Varian HA-100
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6