Analyte Name

1,2-Benzenedicarboxylic Acid Mono(5-carboxy-2-ethyl-4-oxopentyl) Ester-d4

Molecular Formula

C16 D4 H14 O7

Molecular Weight

326.335

Accurate Mass

326.13

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCC(CC)CC(=O)CC(=O)O)c(C(=O)O)c1[2H]

InChI

InChI=1S/C16H18O7/c1-2-10(7-11(17)8-14(18)19)9-23-16(22)13-6-4-3-5-12(13)15(20)21/h3-6,10H,2,7-9H2,1H3,(H,18,19)(H,20,21)/i3D,4D,5D,6D

IUPAC

2-(5-carboxy-2-ethyl-4-oxopentoxy)carbonyl-3,4,5,6-tetradeuteriobenzoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat