| SpectraBase Spectrum ID |
JF1Il8C281o |
| Name |
Tigloidine |
| CAS Registry Number |
495-83-0 |
| Classification |
Pharmaceutical drug, antiparkinsonian |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
223.157228918 u |
| Formula |
C13H21NO2 |
| InChI |
InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+/t10-,11+,12- |
| InChIKey |
UVHGSMZRSVGWDJ-WJKWMCMVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
223.316 g/mol |
| Nominal Mass |
223 u |
| Quality |
997 |
| Retention Index |
1659 |
| SMILES |
[C@]12(N([C@](C[C@](C2)(OC(\C(=C\C)C)=O)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-00ec-9510000000-b96d7aa00cf190180a1e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-beta-(Tigloyloxy)tropane
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methyl-2-butenoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018859 |
