| SpectraBase Spectrum ID |
5BpqNS6yupd |
| Name |
Sertraline-M (-NH(CH3),OH,Oxo) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
348.031999708 u |
| Formula |
C18H14Cl2O3 |
| InChI |
InChI=1S/C18H14Cl2O3/c1-11(21)23-18(12-6-7-15(19)16(20)10-12)9-8-17(22)13-4-2-3-5-14(13)18/h2-7,10H,8-9H2,1H3/t18-/m1/s1 |
| InChIKey |
VGFMIONNPLCTDH-GOSISDBHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
349.213 g/mol |
| Nominal Mass |
348 u |
| Quality |
931 |
| Retention Index |
2499 |
| SMILES |
[C@]1(C=2C(C(CC1)=O)=CC=CC2)(C1=CC(=C(C=C1)Cl)Cl)OC(=O)C |
| SPLASH |
splash10-03dr-2590000000-1d8aa93dae9753376ebb |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R)-1-(3,4-dichlorophenyl)-4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003891 |
