| SpectraBase Spectrum ID |
3KZ1fK721I |
| Name |
Clopenthixol (trans) TMS |
| Classification |
Neuroleptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
472.177139099 u |
| Formula |
C25H33ClN2OSSi |
| InChI |
InChI=1S/C25H33ClN2OSSi/c1-31(2,3)29-18-17-28-15-13-27(14-16-28)12-6-8-21-22-7-4-5-9-24(22)30-25-11-10-20(26)19-23(21)25/h4-5,7-11,19H,6,12-18H2,1-3H3/b21-8- |
| InChIKey |
KTBLRMSCTVEYIN-WNFQYIGGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
473.150 g/mol |
| SMILES |
c12\C(c3c(Sc2ccc(c1)Cl)cccc3)=C/CCN1CCN(CCO[Si](C)(C)C)CC1 |
| SPLASH |
splash10-014i-1190000000-86b16eb62794ac28b453 |
| 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. |
| 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_4535 |
