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Product Overview

Product Code

CDN-D-6841

CAS Number

1219794-90-7

Product Format

Neat

Molecular Formula

C16 2H3 H11 N2 O3 S

Molecular Weight

317.38

Product Categories

Stable isotopes, Sulfur compounds

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

181695-72-7

Purity

98 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Valdecoxib methyl-d3

CAS Number

1219794-90-7

Molecular Formula

C16 2H3 H11 N2 O3 S

Molecular Weight

317.38

Accurate Mass

317.0913

SMILES

[2H]C([2H])([2H])c1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N

InChI

InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)/i1D3

IUPAC

4-[3-phenyl-5-(trideuteriomethyl)-1,2-oxazol-4-yl]benzenesulfonamide

Unlabelled CAS Number

181695-72-7

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity

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