| SpectraBase Spectrum ID |
GVBBhlJYKsS |
| Name |
Mesulphen |
| CAS Registry Number |
135-58-0 |
| Classification |
Pharmaceutical drug, antipruriginosum, anti scabies |
| 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 |
244.038042734 u |
| Formula |
C14H12S2 |
| InChI |
InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3 |
| InChIKey |
AHXDSVSZEZHDLV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.370 g/mol |
| Nominal Mass |
244 u |
| Quality |
924 |
| Retention Index |
2191 |
| SMILES |
C=12C(SC3=C(S2)C=C(C=C3)C)=CC(=CC1)C |
| SPLASH |
splash10-03dl-2490000000-8e4b3159492bc893dca6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dimethyl-diphenylen
Dimethyl-thianthrene
2,7-dimethylthianthrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010426 |
