Analyte Name

(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic-d5 Acid Sodium Salt

Molecular Formula

C13 D5 H11 N Na O4

Molecular Weight

278.291

Accurate Mass

278.129

SMILES

[2H]C1C(=C([2H])C([2H])C(=C1[2H])[C@@H](N\C(=C\C(=O)OC)\C)C(=O)O[Na])[2H]

InChI

InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+;/t12-;/m1./s1/i3D,4D,5D,6D,7D;/t5?,6?,12-;

IUPAC

[(2R)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-2-(2,3,4,5,6-pentadeuteriocyclohexa-1,4-dien-1-yl)acetyl]oxysodium

Unlabelled CAS Number

26774-89-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat