| SpectraBase Spectrum ID |
8J1j85PXYno |
| Name |
Sertraline-M (Oxo) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.026520405 u |
| Formula |
C16H12Cl2O |
| InChI |
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1 |
| InChIKey |
JGMBHJNMQVKDMW-NSHDSACASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
291.177 g/mol |
| Nominal Mass |
290 u |
| Quality |
879 |
| Retention Index |
2093 |
| SMILES |
C1=2[C@](C3=CC(=C(C=C3)Cl)Cl)(CCC(C1=CC=CC2)=O)[H] |
| SPLASH |
splash10-004m-1490000000-dbf372768d68c3a5299b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003892 |
