| SpectraBase Spectrum ID |
3fVi3LKihhp |
| Name |
Scopolamine-A (-H2O) |
| CAS Registry Number |
535-26-2 |
| Classification |
Pharmaceutical drug, anticholinergic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.136493473 u |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15+,16- |
| InChIKey |
JJNVDCBKBUSUII-PWFLSRTFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.343 g/mol |
| Nominal Mass |
285 u |
| Quality |
984 |
| Retention Index |
2285 |
| SMILES |
[C@@]12([C@@]([C@]3(N([C@@]2(C[C@](C3)(OC(C(C=2C=CC=CC2)=C)=O)[H])[H])C)[H])(O1)[H])[H] |
| SPLASH |
splash10-0f76-9610000000-87913b84d0b7e13f8026 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl atropate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003879 |
