| SpectraBase Spectrum ID |
4VCIuh9Udk |
| Name |
Duloxetine isomer-1 HFB |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
493.094647137 u |
| Formula |
C22H18NO2SF7 |
| InChI |
InChI=1S/C22H18F7NO2S/c1-30(19(31)20(23,24)21(25,26)22(27,28)29)12-11-17(18-10-5-13-33-18)32-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3 |
| InChIKey |
RYQXWKFUOPJKEW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
493.440 g/mol |
| SMILES |
c1cc2c(c(ccc2)OC(c2sccc2)CCN(C)C(C(F)(C(F)(F)C(F)(F)F)F)=O)cc1 |
| SPLASH |
splash10-00ku-2980100000-aa675b3f88f4566411f2 |
| 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_7478 |
