| SpectraBase Spectrum ID |
DmnoaDEOqFE |
| Name |
DFE isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.074070844 u |
| Formula |
C13H15F2NO3S |
| InChI |
InChI=1S/C13H15F2NO3S/c1-17-10-5-9(3-4-16-8-20)6-11(18-2)13(10)19-7-12(14)15/h5-6,12H,3-4,7H2,1-2H3 |
| InChIKey |
OJKVCEUBIISGAY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.324 g/mol |
| Nominal Mass |
303 u |
| Quality |
999 |
| Retention Index |
2174 |
| SMILES |
C1(=C(C=C(C=C1OC)CCN=C=S)OC)OCC(F)F |
| SPLASH |
splash10-0f89-3694000000-5cb51f41738ae8823f3b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[4-(2,2-Difluoroethyloxy)-3,5-dimethoxyphenyl]-1-isothiocyanatoethane
2-(2,2-difluoroethoxy)-5-(2-isothiocyanatoethyl)-1,3-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016914 |
