Analyte Name

D-threo-Ritalinic Acid-d9 (Major)

CAS Number

1330180-60-3

Molecular Formula

C13H8D9NO2

Molecular Weight

229.34

Measured Value

1 mg/mL

Accurate Mass

229.1887

SMILES

[2H]C1([2H])N[C@@]([2H])([C@H](C(=O)O)c2ccccc2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1/i4D2,5D2,8D2,9D2,11D,12D

IUPAC

(2R)-2-deuterio-2-[(2R)-2,3,3,4,4,5,5,6,6-nonadeuteriopiperidin-2-yl]-2-phenylacetic acid

Unlabelled CAS Number

129389-67-9

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile