| SpectraBase Spectrum ID |
Jwx5sGlMRzk |
| Name |
Clopenthixol (trans) AC |
| Classification |
Neuroleptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.148176989 u |
| Formula |
C24H27ClN2O2S |
| InChI |
InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/b20-6- |
| InChIKey |
OXAUOBQMCDIVPQ-IOXNKQMXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
443.005 g/mol |
| SMILES |
c12\C(c3c(Sc2ccc(c1)Cl)cccc3)=C/CCN1CCN(CCOC(=O)C)CC1 |
| SPLASH |
splash10-000i-5920000000-96f78d9b8edd13afc246 |
| 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: 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_4680 |
