Nombre del analito

Cocaethylene (Benzoylethylecgonin)

Número CAS

529-38-4

Fórmula molecular

C18 H23 N O4

Peso molecular

317.38

Measured Value

1 mg/mL

Masa exacta

317.1627

SMILES

CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3

InChI

InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1

IUPAC

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

País de origen

CANADA

Formato del producto

Single Solution

Matriz

Acetonitrile