| SpectraBase Spectrum ID |
JGI40TmttEO |
| Name |
Quinidine TMS |
| CAS Registry Number |
77981-91-0 |
| Classification |
Pharmaceutical drug derivative |
| 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 |
396.223304811 u |
| Formula |
C23H32N2O2Si |
| InChI |
InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17-,22-,23+/m1/s1 |
| InChIKey |
UKECXMWGKYEZPW-UOGRCSNTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.606 g/mol |
| Nominal Mass |
396 u |
| Quality |
966 |
| Retention Index |
3189 |
| SMILES |
[C@]1([C@](C=2C=3C(=CC=C(C3)OC)N=CC2)(O[Si](C)(C)C)[H])(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H] |
| SPLASH |
splash10-000i-2910000000-dd3b5a5056af68062b05 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chinidin TMS
Chinin TMS
Quinine,trimethylsilyl ether
beta-Chinin TMS
4-((S)-((2R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)((trimethylsilyl)oxy)methyl)-6-methoxyquinoline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014469 |
