| SpectraBase Spectrum ID |
AQ5V954LKya |
| Name |
atropine, 1TMS |
| Alternate Name(s) |
Hyoscyamine, 1TMS
Tropine tropate, 1TMS
dl-Hyoscyamine, 1TMS
dl-Tropyltropate, 1TMS
Atropinol, 1TMS
Duboisene, 1TMS
Atropine, 1TMS
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, 1TMS
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenyl-3-((trimethylsilyl)oxy)propanoate |
| Comments |
Derivatization type: 1 TMS (mass: 361.207); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000934; Note: The molecular formula of the structure shown is C17H23NO3 - which differs from the formula reported for the mass spectrum (C20H31NO3Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H31NO3Si |
| InChI |
InChI=1S/C20H31NO3Si/c1-21-16-10-11-17(21)13-18(12-16)24-20(22)19(14-23-25(2,3)4)15-8-6-5-7-9-15/h5-9,16-19H,10-14H2,1-4H3/t16-,17+,18?,19? |
| InChIKey |
ZYDHKQGYYADXRL-LPOKXYRGSA-N |
| Molecular Weight |
361.557 g/mol |
| SMILES |
CN1[C@]2(CC[C@@]1(CC(C2)OC(C(CO[Si](C)(C)C)c1ccccc1)=O)[H])[H] |
| SPLASH |
splash10-00di-4900000000-edccb06b3dc937532034 |
| Source of Spectrum |
FM-2019-934-0 |
| Wiley ID |
1818600 |
![Benzeneacetic acid, .alpha.-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+-.)-](/api/spectrum/AQ5V954LKya/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+-.)-")
