| SpectraBase Spectrum ID |
ESKoMWYcd1L |
| Name |
2C-YN isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.066699835 u |
| Formula |
C13H13NO2S |
| InChI |
InChI=1S/C13H13NO2S/c1-4-10-7-13(16-3)11(5-6-14-9-17)8-12(10)15-2/h1,7-8H,5-6H2,2-3H3 |
| InChIKey |
QLEWRNAEJYXXRE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.312 g/mol |
| Nominal Mass |
247 u |
| Quality |
972 |
| Retention Index |
1774 |
| SMILES |
C=1(C(=CC(=C(C1)OC)C#C)OC)CCN=C=S |
| SPLASH |
splash10-004j-2940000000-1e4067f3592f58ed18fb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-Ethinyl-2,5-dimethoxyphenyl)-1-isothiocyanatoethane
1-ethynyl-4-(2-isothiocyanatoethyl)-2,5-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016913 |
