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Product Information
Product Data
Analyte Name
Cocaethylene (Benzoylethylecgonin)
CAS Number
529-38-4
Molecular Formula
C18 H23 N O4
Molecular Weight
317.38
Concentration
1 mg/mL
Accurate Mass
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
Storage & Transport Information
Country of Origin
CANADA
Product Attributes
Product Format
Single Solution
Matrix
Acetonitrile
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