| SpectraBase Spectrum ID |
JwcpcjwmUdu |
| Name |
Sertraline |
| CAS Registry Number |
79617-96-2 |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
305.073804951 u |
| Formula |
C17H17Cl2N |
| InChI |
InChI=1S/C17H17Cl2N/c1-20-16-10-9-12(11-5-2-3-6-13(11)16)14-7-4-8-15(18)17(14)19/h2-8,12,16,20H,9-10H2,1H3 |
| InChIKey |
HSBAOQBIJBVXFV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
306.236 g/mol |
| SMILES |
C1(c2c(cccc2)C(CC1)NC)c1c(c(Cl)ccc1)Cl |
| SPLASH |
splash10-00b9-2980000000-bbb7057c3a0bd53522db |
| 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: G P-I U |
| 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_4641 |
