| SpectraBase Spectrum ID |
40uzdm2Jan4 |
| Name |
Scopolaminium cation |
| CAS Registry Number |
138-12-5 |
| Comments |
BROAD RESONANCE OF C2 AND C4 REASSIGNED (A.H.) |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C17H22NO4 |
| 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/p+1 |
| InChIKey |
STECJAGHUSJQJN-UHFFFAOYSA-O |
| Instrument Name |
Bruker HX-90 |
| Literature Reference |
L. Simeral, G.E. Maciel, Org. Magn. Resonance 6, 226 (1974). |
| NMR Standard |
Dioxane |
| Origin |
Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent |
H2O |
