| SpectraBase Spectrum ID |
IJEKWt7m5DJ |
| Name |
Scopolamine |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1 |
| InChIKey |
STECJAGHUSJQJN-FWXGHANASA-N |
| SMILES |
OC[C@@](C(O[C@]1(C[C@@]2([C@@]3([C@]([C@](C1)(N2C)[H])(O3)[H])[H])[H])[H])=O)(c1ccccc1)[H] |
| SPLASH |
splash10-0f76-9700000000-f3b352c7316c19dfe104 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
