| SpectraBase Spectrum ID |
5YmGRjPULKK |
| Name |
Sertraline-M/A (-NH2-4H) |
| 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 |
272.015955722 u |
| Formula |
C16H10Cl2 |
| InChI |
InChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H |
| InChIKey |
XXZDWAQTCMYQNE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
273.162 g/mol |
| Nominal Mass |
272 u |
| Quality |
913 |
| Retention Index |
1977 |
| SMILES |
C=1(C=2C(C=CC1)=CC=CC2)C1=CC(=C(C=C1)Cl)Cl |
| SPLASH |
splash10-0udi-1590000000-d57282175cfe080d5a0e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3,4-dichlorophenyl)naphthalene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003887 |
