| SpectraBase Spectrum ID |
8J2MT8LcfSq |
| Name |
5-TOET isothiocyanate |
| Classification |
Amphetamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
281.090806583 u |
| Formula |
C14H19NOS2 |
| InChI |
InChI=1S/C14H19NOS2/c1-5-11-7-13(16-3)12(8-14(11)18-4)6-10(2)15-9-17/h7-8,10H,5-6H2,1-4H3 |
| InChIKey |
GFHDFKPNWNKAEM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
281.432 g/mol |
| Nominal Mass |
281 u |
| Quality |
972 |
| Retention Index |
2001 |
| SMILES |
C=1(C(=CC(=C(C1)SC)CC)OC)CC(N=C=S)C |
| SPLASH |
splash10-000t-1930000000-9c77d5cb6a2c98b64037 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Ethyl-2-methoxy-5-methylthiophenyl)-2-isothiocyanatopropane
1-ethyl-4-(2-isothiocyanatopropyl)-5-methoxy-2-methylthiobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016943 |
