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4-tert-Butylbenzoic Acid-[d13]

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General Information
Catalog: BLP-002974
Molecular Formula: C11HD13O2
Molecular Weight: 191.31

Chemical Structure

Synonyms	4-tert-Butylbenzoic-D13 Acid; 4-(1,1-Dimethylethyl)benzoic-d13 Acid; 4-t-Butylbenzoic-d13 Acid; NSC 4802-d13; p-t-Butylbenzoic-d13 Acid; p-tert-Butylbenzoic-d13 Acid; p-tert-Butylphenylcarboxylic-d13 Acid
IUPAC Name	2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]benzoic acid
Related CAS	98-73-7 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)/i1D3,2D3,3D3,4D,5D,6D,7D
InChI Key	KDVYCTOWXSLNNI-JPLVHWSDSA-N