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4-Methoxybenzoic acid-[13C6]

General Information
Catalog: BLP-006591
CAS: 1173022-97-3
Molecular Formula: C2[13C]6H8O3
Molecular Weight: 158.10
Chemical Structure
4-Methoxybenzoic acid-[13C6]
Synonyms 4-Methoxybenzoic acid-(phenyl-13C6)
IUPAC Name 4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS 100-09-4 (unlabelled)
Isomeric SMILES CO[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C(=O)O
Canonical SMILES COC1=CC=C(C=C1)C(=O)O
InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key ZEYHEAKUIGZSGI-WBJZHHNVSA-N
Purity 97% by CP; 99% atom 13C
Density 1.2±0.1 g/cm3
Solubility Soluble in DMSO, Ethyl Acetate
Appearance White to Off-white Solid
Storage Store at -20°C

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