| SpectraBase Spectrum ID |
D2b5iClMENc |
| Name |
Sertraline-M (-NHCH3,-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 |
274.031605786 u |
| Formula |
C16H12Cl2 |
| InChI |
InChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1 |
| InChIKey |
ZLSPQUYRIXMVNQ-AWEZNQCLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
275.178 g/mol |
| Nominal Mass |
274 u |
| Quality |
927 |
| Retention Index |
1984 |
| SMILES |
[C@]1(C=2C(C=CC1)=CC=CC2)(C1=CC(=C(C=C1)Cl)Cl)[H] |
| SPLASH |
splash10-0ufr-1890000000-4b82848d692df04bc0b4 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003890 |
