| SpectraBase Spectrum ID |
JF1NHtI55XM |
| Name |
3C-E isothiocyanate |
| Classification |
Amphetamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
281.108564647 u |
| Formula |
C14H19NO3S |
| InChI |
InChI=1S/C14H19NO3S/c1-5-18-14-12(16-3)7-11(8-13(14)17-4)6-10(2)15-9-19/h7-8,10H,5-6H2,1-4H3 |
| InChIKey |
AYLSRNQOBQJKQC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
281.370 g/mol |
| Nominal Mass |
281 u |
| Quality |
953 |
| Retention Index |
2039 |
| SMILES |
C1(=C(C=C(C=C1OC)CC(N=C=S)C)OC)OCC |
| SPLASH |
splash10-014j-2910000000-71448372c1bd930e9f0f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Ethoxy-3,5-dimethoxphenyl)-2-isothiocyanatopropane
2-ethoxy-5-(2-isothiocyanatopropyl)-1,3-dimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016879 |
