| SpectraBase Spectrum ID |
I3oK2ffwoon |
| Name |
Duloxetine isomer-1 TFA |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
393.101034485 u |
| Formula |
C20H18NO2SF3 |
| InChI |
InChI=1S/C20H18F3NO2S/c1-24(19(25)20(21,22)23)12-11-17(18-10-5-13-27-18)26-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3 |
| InChIKey |
IYNGMCPKQFTWDA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
393.424 g/mol |
| SMILES |
c1cc2cccc(c2cc1)OC(CCN(C(C(F)(F)F)=O)C)c1cccs1 |
| SPLASH |
splash10-000l-3961000000-738b96484cf3f8b4171b |
| 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_7473 |
