| SpectraBase Spectrum ID |
4llk8FOjkma |
| Name |
Reboxetine PFP |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
459.146899003 u |
| Formula |
C22H22F5NO4 |
| InChI |
InChI=1S/C22H22F5NO4/c1-2-30-16-10-6-7-11-17(16)32-19(15-8-4-3-5-9-15)18-14-28(12-13-31-18)20(29)21(23,24)22(25,26)27/h3-11,18-19H,2,12-14H2,1H3 |
| InChIKey |
AUSVEQGRTJNDOT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
459.413 g/mol |
| SMILES |
c1cc(OCC)c(OC(C2OCCN(C(C(C(F)(F)F)(F)F)=O)C2)c2ccccc2)cc1 |
| SPLASH |
splash10-0006-9402000000-bb56ac65cef303a20816 |
| 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_6372 |
