| SpectraBase Spectrum ID |
8IKJ1nxnjhQ |
| Name |
Hyoscyamine |
| CAS Registry Number |
101-31-5 |
| Classification |
Pharmaceutical drug, anticholinergic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.167793602 u |
| Formula |
C17H23NO3 |
| InChI |
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m0/s1 |
| InChIKey |
RKUNBYITZUJHSG-JJXSEGSLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.375 g/mol |
| Nominal Mass |
289 u |
| Quality |
993 |
| Retention Index |
2306 |
| SMILES |
OC[C@](C(O[C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])[H])=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-00di-9810000000-e305ec1763ca17757656 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-hydroxy-2-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001704 |
