| SpectraBase Spectrum ID |
5XJKnmJpbAe |
| Name |
Mesulphen-A (desmethyl) |
| Classification |
Anti-acne, scabicide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
230.022392670 u |
| Formula |
C13H10S2 |
| InChI |
InChI=1S/C13H10S2/c1-9-6-7-12-13(8-9)15-11-5-3-2-4-10(11)14-12/h2-8H,1H3 |
| InChIKey |
CWPYKNDLYQEZGO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
230.343 g/mol |
| Nominal Mass |
230 u |
| Quality |
958 |
| Retention Index |
2053 |
| SMILES |
C12=C(SC=3C(S2)=CC=CC3)C=CC(=C1)C |
| SPLASH |
splash10-000t-4950000000-c3b4bc32461a855a3b20 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylthianthrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010427 |
