| SpectraBase Spectrum ID |
JFPhc42Cwim |
| Name |
Chlorprothixene-M (-(CH3)2N,-2H) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
270.026999228 u |
| Formula |
C16H11ClS |
| InChI |
InChI=1S/C16H11ClS/c1-2-5-12-13-6-3-4-7-15(13)18-16-9-8-11(17)10-14(12)16/h2-10H,1H2/b12-5+ |
| InChIKey |
DZVCAFSCZPUOQC-LFYBBSHMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
270.777 g/mol |
| Nominal Mass |
270 u |
| Quality |
719 |
| Retention Index |
1962 |
| SMILES |
C=12\C(C3=C(SC2=CC=C(C1)Cl)C=CC=C3)=C\C=C |
| SPLASH |
splash10-00sr-1390000000-28993f27e6b1ef5380d1 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-chloro-9-(prop-2-en-1-ylidene)-9H-thioxanthene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006194 |
