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Product Overview

Product Code

TRC-A398523

Product Format

Neat

Molecular Formula

C16 D3 H10 N O6

Molecular Weight

318.296

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

116764-15-9

Documentation

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Product Information

Chemical Data

Analyte Name

Avenanthramide C-D3

Molecular Formula

C16 D3 H10 N O6

Molecular Weight

318.296

Accurate Mass

318.093

SMILES

[2H]c1c([2H])c(\C=C\C(=O)Nc2ccc(O)cc2C(=O)O)c([2H])c(O)c1O

InChI

InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+/i1D,5D,7D

IUPAC

5-hydroxy-2-[[(E)-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)prop-2-enoyl]amino]benzoic acid

Unlabelled CAS Number

116764-15-9

SIL Type

Deuterium

Product Data

Country of Origin

CANADA

Product Format

Neat

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