Analyte Name

Pelubiprofen-d3

Molecular Formula

C16 D3 H15 O3

Molecular Weight

261.331

Accurate Mass

261.144

SMILES

[2H]C([2H])([2H])C(C(=O)O)c1ccc(\C=C\2/CCCCC2=O)cc1

InChI

InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+/i1D3

IUPAC

3,3,3-trideuterio-2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid

Unlabelled CAS Number

69956-77-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat