| SpectraBase Spectrum ID |
2mO4dFnGfnE |
| Name |
Sertraline |
| CAS Registry Number |
79617-96-2 |
| Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
305.073804951 u |
| Formula |
C17H17Cl2N |
| InChI |
InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 |
| InChIKey |
VGKDLMBJGBXTGI-SJCJKPOMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
306.236 g/mol |
| Nominal Mass |
305 u |
| Quality |
967 |
| Retention Index |
2388 |
| SMILES |
[C@]1(C=2C([C@](CC1)(NC)[H])=CC=CC2)(C1=CC(=C(C=C1)Cl)Cl)[H] |
| SPLASH |
splash10-00b9-2890000000-c325cd13ce9570694df5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro:N-methyl-1-naphthaleneamine
(1S,4R)-4-(3,4-Dichlorophenyl)-N-methyl-tetralin-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003882 |
