| SpectraBase Spectrum ID |
2lConQaZCF6 |
| Name |
Chlorprothixene-M/A |
| CAS Registry Number |
38605-72-0 |
| Classification |
Pharmaceutical drug, neuroleptic |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
245.990613718 u |
| Formula |
C13H7ClOS |
| InChI |
InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H |
| InChIKey |
ZCDADJXRUCOCJE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.711 g/mol |
| Nominal Mass |
246 u |
| Quality |
900 |
| Retention Index |
1782 |
| SMILES |
C1=2C(C=3C(SC2C=CC(=C1)Cl)=CC=CC3)=O |
| SPLASH |
splash10-0002-2490000000-7bc5910bfd7180082fe9 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
9H-Thioxanthen-9-one,2-chloro
9H-Thioxanthen-9-one,2-chloro-
2-Chloro-9H-thioxanthen-9-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005943 |
