| SpectraBase Spectrum ID |
K4JNEVxR8EF |
| Name |
Duloxetine isomer-2 PFP |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
443.097840811 u |
| Formula |
C21H18NO2SF5 |
| InChI |
InChI=1S/C21H18F5NO2S/c1-27(19(28)20(22,23)21(24,25)26)12-11-17(18-10-5-13-30-18)29-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3 |
| InChIKey |
VRKVCRSDGXEUHU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
443.432 g/mol |
| SMILES |
c1cc2c(c(ccc2)OC(c2cccs2)CCN(C(C(F)(C(F)(F)F)F)=O)C)cc1 |
| SPLASH |
splash10-000l-2960100000-450a81154a8e1ecabd76 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7472 |
