| SpectraBase Spectrum ID |
8HCCApDVyfg |
| Name |
Sertraline-M (Nor) 2ME |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.089455016 u |
| Formula |
C18H19Cl2N |
| InChI |
InChI=1S/C18H19Cl2N/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3/t13-,18-/m0/s1 |
| InChIKey |
LTKRQOGLVNJKBK-UGSOOPFHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
320.263 g/mol |
| Nominal Mass |
319 u |
| Quality |
890 |
| Retention Index |
2399 |
| SMILES |
C1=2[C@](C3=CC(=C(C=C3)Cl)Cl)(CC[C@@](C1=CC=CC2)(N(C)C)[H])[H] |
| SPLASH |
splash10-002f-8960000000-8d73708ebcccaf86b62c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Norsertraline 2ME
(1S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011131 |
