| SpectraBase Spectrum ID |
KO8U9eXi0mE |
| Name |
Sertraline-M (ketone) enol AC |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.037085089 u |
| Formula |
C18H14Cl2O2 |
| InChI |
InChI=1S/C18H14Cl2O2/c1-11(21)22-17-10-9-13(12-5-2-3-6-14(12)17)15-7-4-8-16(19)18(15)20/h2-8,10,13H,9H2,1H3 |
| InChIKey |
BALZMKOITLPHPD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
333.214 g/mol |
| SMILES |
C=1(c2c(cccc2)C(CC1)c1c(c(Cl)ccc1)Cl)OC(=O)C |
| SPLASH |
splash10-0006-0390000000-ea41b21fe7b16c51aac9 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4684 |
