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5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furoic acid
SpectraBase Compound ID 7NGTwDE4xba
InChI InChI=1S/C12H6ClF3O3/c13-8-2-1-6(12(14,15)16)5-7(8)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKey SSIFVNBQAZVYCS-UHFFFAOYSA-N
Mol Weight 290.63 g/mol
Molecular Formula C12H6ClF3O3
Exact Mass 289.995756 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HEA5n708PKa
Name 5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 447846
CAS Registry Number 302911-88-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6ClF3O3
InChI InChI=1S/C12H6ClF3O3/c13-8-2-1-6(12(14,15)16)5-7(8)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKey SSIFVNBQAZVYCS-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furancarboxylic acid
Wiley ID SIAL_13CNMR_009874