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4-(3,6-Dimethylhept-3-yl)phenol-[13C6]

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General Information
Catalog: BLP-000326
CAS: 1173020-38-6
Molecular Formula: C9[13C]6H24O
Molecular Weight: 226.31

Chemical Structure

Synonyms	4-(3,6-Dimethylhept-3-yl)phenol-13C6; 4-(1-Ethyl-1,4-dimethylpentyl)(13C6)phenol
IUPAC Name	4-(3,6-dimethylheptan-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Related CAS	142731-63-3 (unlabelled)
Isomeric SMILES	CCC(C)(CCC(C)C)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
Canonical SMILES	CCC(C)(CCC(C)C)C1=CC=C(C=C1)O
InChI	InChI=1S/C15H24O/c1-5-15(4,11-10-12(2)3)13-6-8-14(16)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3/i6+1,7+1,8+1,9+1,13+1,14+1
InChI Key	BGLUSMSXKMBLFS-FQPQTBQFSA-N
Solubility	Soluble in Chloroform, Methanol
Appearance	Colourless to Pale Yellow Oil
Storage	Store at -20°C