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3,4,5-Trimethoxy-2'-Cyano-Di-Hydrocinnamaldehyde Dimethylacetal-[d9]

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General Information
Catalog: BLP-012177
CAS: 1185144-63-1
Molecular Formula: C15H12D9NO5
Molecular Weight: 304.39

Chemical Structure

Synonyms	3,4,5-Trimethoxy-d9-2'-cyano-di-hydrocinnamaldehyde Dimethylacetal
IUPAC Name	3,3-dimethoxy-2-[[3,4,5-tris(trideuteriomethoxy)phenyl]methyl]propanenitrile
Related CAS	7520-70-9 (unlabelled)
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)CC(C#N)C(OC)OC
InChI	InChI=1S/C15H21NO5/c1-17-12-7-10(8-13(18-2)14(12)19-3)6-11(9-16)15(20-4)21-5/h7-8,11,15H,6H2,1-5H3/i1D3,2D3,3D3
InChI Key	YJLVEDBQYCETMX-GQALSZNTSA-N
Boiling Point	418.2±45.0 °C at 760 mmHg
Purity	95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Dichloromethane
Appearance	Off-white Solid
Application	A labelled intermediate in the synthesis of Trimethoprim.
Storage	Store at -20°C