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tert-Butyl-[d9] acetate

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General Information
Catalog: BLP-010088
CAS: 358731-03-0
Molecular Formula: C6H3D9O2
Molecular Weight: 125.21

Chemical Structure

Synonyms	2-Propan-1,1,1,3,3,3-d6-ol, 2-(methyl-d3)-, acetate (9CI)
IUPAC Name	[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl] acetate
Related CAS	540-88-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)C
Canonical SMILES	CC(=O)OC(C)(C)C
InChI	InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3/i2D3,3D3,4D3
InChI Key	WMOVHXAZOJBABW-WVZRYRIDSA-N
Purity	≥97% by CP; ≥98% atom D
Density	0.931 g/cm3
Storage	Store at RT