| SpectraBase Spectrum ID |
LqwDB9M0JTs |
| Name |
Doxepin-M (nor-) PFP |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
411.125769637 u |
| Formula |
C21H18NO2F5 |
| InChI |
InChI=1S/C21H18F5NO2/c1-27(19(28)20(22,23)21(24,25)26)12-6-10-16-15-8-3-2-7-14(15)13-29-18-11-5-4-9-17(16)18/h2-5,7-11H,6,12-13H2,1H3/b16-10+ |
| InChIKey |
IBABLNIEHDNFTM-MHWRWJLKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
411.372 g/mol |
| SMILES |
c12\C(=C\CCN(C(C(C(F)(F)F)(F)F)=O)C)c3ccccc3COc2cccc1 |
| SPLASH |
splash10-00lr-1890000000-be4ddc35d3431ac76114 |
| 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_7669 |
