| SpectraBase Spectrum ID |
GXhxuYUeJqy |
| Name |
Sertraline-M (-CH3,enol) 2AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
387.042898744 u |
| Formula |
C20H15Cl2NO3 |
| InChI |
InChI=1S/C20H15Cl2NO3/c1-11(24)23-20-15-6-4-3-5-14(15)16(10-19(20)26-12(2)25)13-7-8-17(21)18(22)9-13/h3-10H,1-2H3,(H,23,24) |
| InChIKey |
FQIJMOIVWKIEBB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
388.250 g/mol |
| Nominal Mass |
387 u |
| Quality |
939 |
| Retention Index |
2890 |
| SMILES |
C=1(C=2C(C(C3=CC(=C(C=C3)Cl)Cl)=CC1OC(=O)C)=CC=CC2)NC(=O)C |
| SPLASH |
splash10-0zfr-1229000000-18a057e3d3bafd2563e2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(acetylamino)-4-(3,4-dichlorophenyl)naphthalen-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004849 |
