| SpectraBase Spectrum ID |
8JAL1RYNA4O |
| Name |
Chlorprothixene-M (-HN(CH3)2,Sulfoxide) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.021913847 u |
| Formula |
C16H11ClOS |
| InChI |
InChI=1S/C16H11ClOS/c1-2-5-12-13-6-3-4-7-15(13)19(18)16-9-8-11(17)10-14(12)16/h2-10H,1H2/b12-5+ |
| InChIKey |
ZMVOIUNYSJTANQ-LFYBBSHMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
286.776 g/mol |
| Nominal Mass |
286 u |
| Quality |
891 |
| Retention Index |
2070 |
| SMILES |
C=12\C(C3=C(S(C2=CC=C(C1)Cl)=O)C=CC=C3)=C\C=C |
| SPLASH |
splash10-0udi-1390000000-925a2c69755072eb5693 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(9E)-2-chloro-9-(prop-2-en-1-ylidene)-10lambda4-thioxanthen-10(9H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006195 |
