| SpectraBase Spectrum ID |
2mFS7BJpatc |
| Name |
3C-DFE isothiocyanate |
| Classification |
Amphetamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.089720908 u |
| Formula |
C14H17F2NO3S |
| InChI |
InChI=1S/C14H17F2NO3S/c1-9(17-8-21)4-10-5-11(18-2)14(12(6-10)19-3)20-7-13(15)16/h5-6,9,13H,4,7H2,1-3H3 |
| InChIKey |
HDDPFFFSDYGOOU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.351 g/mol |
| Nominal Mass |
317 u |
| Quality |
998 |
| Retention Index |
2275 |
| SMILES |
C1(=C(C=C(C=C1OC)CC(N=C=S)C)OC)OCC(F)F |
| SPLASH |
splash10-00lr-2593000000-cfe39047de06058e3cf8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(2,2-Difluoroethyloxy)-3,5-dimethoxyphenyl)-2-isothiocyanatopropane
2-(2,2-difluoroethoxy)-5-(2-isothiocyanatopropyl)-1,3-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016876 |
