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3-Phenoxybenzoic acid-[phenoxy-13C6]

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General Information
Catalog: BLP-008104
CAS: 1793055-05-6
Molecular Formula: C7[13C]6H10O3
Molecular Weight: 220.17

Chemical Structure

Description	3-Phenoxy-13C6-benzoic acid is a labelled derivative of the benzoic acid class.
Synonyms	3-Phenoxy-13C6-benzoic acid; 3-PBA-13C6; m-(Phenyloxy-13C6)benzoic Acid; m-Phenoxybenzoic Acid-13C6; 3-(Phenoxy-13C6)benzoic Acid
IUPAC Name	3-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)benzoic acid
Related CAS	3739-38-6 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
InChI	InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)/i1+1,2+1,3+1,6+1,7+1,11+1
InChI Key	NXTDJHZGHOFSQG-UJVDBDNBSA-N
Melting Point	145-147°C
Purity	98% by CP; 99% atom 13C
Solubility	Soluble in DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at RT