| SpectraBase Spectrum ID |
AjbY0UbrNEZ |
| Name |
Cocaethylene |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C18H23NO4 |
| 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 |
| InChIKey |
NMPOSNRHZIWLLL-XUWVNRHRSA-N |
| SMILES |
C(OC([C@@]1([C@]2(CC[C@@](C[C@@]1(OC(c1ccccc1)=O)[H])(N2C)[H])[H])[H])=O)C |
| SPLASH |
splash10-000t-9611000000-28aea4db551eb2c051bc |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Synonyms |
Ethylbenzoylecgonine |
