| SpectraBase Spectrum ID |
DnQiOHVIm8G |
| Name |
2,4-Dimethylphenyl isothiocyanate |
| CAS Registry Number |
39842-01-8 |
| Classification |
Intermediate of pharmaceuticals and pesticides |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.045570468 u |
| Formula |
C9H9NS |
| InChI |
InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3 |
| InChIKey |
HOHSBFCSOARUBF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.238 g/mol |
| Nominal Mass |
163 u |
| Quality |
894 |
| Retention Index |
1212 |
| SMILES |
C1(=C(C=C(C=C1)C)C)N=C=S |
| SPLASH |
splash10-03e9-3900000000-5e0d39db3e90c3a7df60 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-isothiocyanato-2,4-dimethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008103 |
