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4-Phenylbutyric Acid-[13C6]

General Information
Catalog: BLP-002969
CAS: 1346602-38-7
Molecular Formula: C4[13C]6H12O2
Molecular Weight: 170.16
Chemical Structure
4-Phenylbutyric Acid-[13C6]
Synonyms 4-Phenylbutyric Acid-13C6; Benzene-13C6-butanoic Acid; γ-Phenyl-13C6-butanoic Acid
IUPAC Name 4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)butanoic acid
Related CAS 1821-12-1 (unlabelled)
Canonical SMILES C1=CC=C(C=C1)CCCC(=O)O
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,9+1
InChI Key OBKXEAXTFZPCHS-SJOJKWQCSA-N
Melting Point 48-50 °C
Purity ≥ 98% by HPLC; ≥ 99% atom 13C
Solubility Slightly soluble in Chloroform, Methanol
Appearance White to Off-white Solid
Storage 2-8 °C

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