Benzoyl Ecgonine (100μg/ml in Methanol)

Analyte Name

Benzoylecgonine

CAS Number

519-09-5

Molecular Formula

C16 H19 N O4

Molecular Weight

289.33

Measured Value

100 μg/mL

Accurate Mass

289.1314

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1

IUPAC

(1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol