| SpectraBase Spectrum ID |
BtoX2ByUpaN |
| Name |
Sertraline -CH5N |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
274.031605786 u |
| Formula |
C16H12Cl2 |
| InChI |
InChI=1S/C16H12Cl2/c17-15-10-4-9-14(16(15)18)13-8-3-6-11-5-1-2-7-12(11)13/h1-7,9-10,13H,8H2 |
| InChIKey |
WUKQAKAHVNXQAT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
275.178 g/mol |
| SMILES |
c1(C2c3c(cccc3)C=CC2)c(c(Cl)ccc1)Cl |
| SPLASH |
splash10-0ufr-3890000000-a67b947b163cba8ea497 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G P-I U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4682 |
