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Vanillylmandelic Acid (Ethyl Ester-[d3])

General Information
Catalog: BLP-007576
CAS: 1329499-52-6
Molecular Formula: C11H11D3O5
Molecular Weight: 229.24
Chemical Structure
Vanillylmandelic Acid (Ethyl Ester-[d3])
Description Vanillylmandelic Acid (Ethyl Ester-[d3]) is a labelled intermediate of Homovanillic Acid.
Synonyms 4-Hydroxy-3-methoxy-mandelic Acid-d3 Ethyl Ester; α,4-Dihydroxy-3-methoxy-benzeneacetic Acid-d3 Ethyl Ester
IUPAC Name ethyl 2-hydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetate
Related CAS 52058-11-4 (unlabelled)
Canonical SMILES CCOC(=O)C(C1=CC(=C(C=C1)O)OC)O
InChI InChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-8(12)9(6-7)15-2/h4-6,10,12-13H,3H2,1-2H3/i2D3
InChI Key JANQOURSKMXOPR-BMSJAHLVSA-N
Melting Point 69-76°C
Solubility Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance Brown Solid
Storage Store at -20°C

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