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2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic Acid (Methyl Ester-[d3])

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General Information
Catalog: BLP-007720
CAS: 1185175-97-6
Molecular Formula: C11H17D3O4
Molecular Weight: 219.29

Chemical Structure

Description	Labelled 2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic Acid Methyl Ester.
Synonyms	methyl 2-tert-butyl-5-(D3)methyl-1,3-dioxane-5-carboxylate
IUPAC Name	methyl 2-tert-butyl-5-(trideuteriomethyl)-1,3-dioxane-5-carboxylate
Related CAS	107337-46-2 (unlabelled cis-isomer)
Isomeric SMILES	[2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)OC
Canonical SMILES	CC1(COC(OC1)C(C)(C)C)C(=O)OC
InChI	InChI=1S/C11H20O4/c1-10(2,3)9-14-6-11(4,7-15-9)8(12)13-5/h9H,6-7H2,1-5H3/i4D3
InChI Key	SIPIGCWUSDTOCI-GKOSEXJESA-N
Purity	>98%
Solubility	Soluble in Dichloromethane, Methanol
Appearance	Solid