| SpectraBase Spectrum ID |
DoKwvh4Qbjs |
| Name |
Sertraline FORM |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
333.068719570 u |
| Formula |
C18H17Cl2NO |
| InChI |
InChI=1S/C18H17Cl2NO/c1-21(11-22)18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10-11,13,18H,7,9H2,1H3/t13-,18-/m0/s1 |
| InChIKey |
ARNNULOWCAPDRZ-UGSOOPFHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
334.246 g/mol |
| Nominal Mass |
333 u |
| Quality |
922 |
| Retention Index |
2775 |
| SMILES |
C=12C([C@@](N(C=O)C)(CC[C@]2(C2=CC(=C(C=C2)Cl)Cl)[H])[H])=CC=CC1 |
| SPLASH |
splash10-0fi3-6960000000-507661b6f36ed0b1765d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-((1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylformamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011126 |
