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4-(Trifluoromethyl)benzoic acid-[13C6]

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General Information
Catalog: BLP-012811
Molecular Formula: C2[13C]6H5F3O2
Molecular Weight: 196.12

Chemical Structure

Synonyms	4-(Trifluoromethyl)benzoic acid-13C6; α,α,α-Trifluoro-p-toluic Acid-13C6; 4-Carboxybenzotrifluoride-13C6
IUPAC Name	4-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	455-24-3 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(=O)O)C(F)(F)F
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	SWKPKONEIZGROQ-IDEBNGHGSA-N
Purity	97% by HPLC; 99% atom 13C