| SpectraBase Spectrum ID |
K9VyCseh9Ct |
| Name |
Benzoylecgonine |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C16H19NO4 |
| 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 |
| InChIKey |
GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| SMILES |
OC([C@@]1([C@]2(CC[C@@](C[C@@]1(OC(=O)c1ccccc1)[H])(N2C)[H])[H])[H])=O |
| SPLASH |
splash10-00e9-9500000000-5da436a032880e0e52b9 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
