| SpectraBase Spectrum ID |
DmigkKlNpzs |
| Name |
2C-TBU isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
279.129300092 u |
| Formula |
C15H21NO2S |
| InChI |
InChI=1S/C15H21NO2S/c1-15(2,3)12-9-13(17-4)11(6-7-16-10-19)8-14(12)18-5/h8-9H,6-7H2,1-5H3 |
| InChIKey |
IJTPPTLSMFRILU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
279.398 g/mol |
| Nominal Mass |
279 u |
| Quality |
986 |
| Retention Index |
2031 |
| SMILES |
C1(=C(C=C(C(=C1)OC)CCN=C=S)OC)C(C)(C)C |
| SPLASH |
splash10-0a6r-1690000000-cf88433a1ca5a8c05116 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-tert-Butyl-2,5-dimethoxyphenyl)-1-isothiocyanatoethane
1-tert-butyl-4-(2-isothiocyanatoethyl)-2,5-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016894 |
