| SpectraBase Spectrum ID |
3Wm9nnErTbo |
| Name |
Sertraline-M -H2O enol 2AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
388.026914327 u |
| Formula |
C20H14Cl2O4 |
| InChI |
InChI=1S/C20H14Cl2O4/c1-11(23)25-13-6-7-15-17(10-13)14(8-9-19(15)26-12(2)24)16-4-3-5-18(21)20(16)22/h3-10H,1-2H3 |
| InChIKey |
DAXLAGLBMJNFIX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
389.234 g/mol |
| SMILES |
c12c(-c3c(c(Cl)ccc3)Cl)ccc(c1ccc(c2)OC(=O)C)OC(=O)C |
| SPLASH |
splash10-0pb9-0019000000-fd6511469f6bdb862dcd |
| 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. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Sertraline-M (di-HO-ketone) -H2O enol 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4685 |
