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Methyl 2-Methyl-2-(4-(4-((Methylsulfonyl)Oxy)But-1-Yn-1-Yl)Phenyl)Propanoate-[d6]

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Methyl 2-Methyl-2-(4-(4-((Methylsulfonyl)Oxy)But-1-Yn-1-Yl)Phenyl)Propanoate-[d6]

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General Information
Catalog: BLP-012165
CAS: 1020719-58-7
Molecular Formula: C16H14D6O5S
Molecular Weight: 330.43

Chemical Structure

Synonyms	α,α-Dimethyl-4-[4-[(methylsulfonyl)oxy]-1-butyn-1-yl]benzeneacetic Acid-d6 Methyl Ester; 4-[4-(Methanesulfonyloxy)-1-butynyl]-α,α-di(methyl-d3)benzeneacetic Acid, Methyl Ester
IUPAC Name	methyl 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate
Related CAS	154825-94-2 (unlabelled)
Canonical SMILES	CC(C)(C1=CC=C(C=C1)C#CCCOS(=O)(=O)C)C(=O)OC
InChI	InChI=1S/C16H20O5S/c1-16(2,15(17)20-3)14-10-8-13(9-11-14)7-5-6-12-21-22(4,18)19/h8-11H,6,12H2,1-4H3/i1D3,2D3
InChI Key	FJJVTPFUPQUZBM-WFGJKAKNSA-N
Boiling Point	471.2±35.0 °C at 760 mmHg
Purity	95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Ether
Appearance	Pale Yellow Oil
Storage	Store at -20°C