| SpectraBase Spectrum ID |
JIomvwX9rxQ |
| Name |
Atropine |
| CAS Registry Number |
51-55-8 |
| Classification |
Pharmaceutical drug, anticholinergic |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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 |
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? |
| InChIKey |
RKUNBYITZUJHSG-SPUOUPEWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.375 g/mol |
| Nominal Mass |
289 u |
| Quality |
996 |
| Retention Index |
2220 |
| SMILES |
OCC(C(O[C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])[H])=O)C=1C=CC=CC1 |
| SPLASH |
splash10-00di-8900000000-ff2b2d4236a5f4f6a3f9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Atropin
DL-Hyoscyamine
dl-Tropyltropate
(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)3-hydroxy-2-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000184 |
