| SpectraBase Spectrum ID |
GRsLLmFoB5X |
| Name |
Scopolamine |
| CAS Registry Number |
51-34-3 |
| Classification |
Pharmaceutical drug, anticholinergic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| 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- |
| InChIKey |
STECJAGHUSJQJN-BOEDBWSRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.358 g/mol |
| Nominal Mass |
303 u |
| Quality |
980 |
| Retention Index |
2303 |
| SMILES |
OCC(C(O[C@]1(C[C@]2([C@@]3([C@]([C@](N2C)(C1)[H])(O3)[H])[H])[H])[H])=O)C=1C=CC=CC1 |
| SPLASH |
splash10-000f-9700000000-a4389a4032596b4b64a0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hyoscine
6beta,7beta-Epoxy-3-alpha(1alphaH,5alphaH)-tropanyl(-)-tropate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018523 |
