| SpectraBase Spectrum ID |
JJbrtA1NLDk |
| Name |
3-MT-4-MA isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
253.059506454 u |
| Formula |
C12H15NOS2 |
| InChI |
InChI=1S/C12H15NOS2/c1-9(13-8-15)6-10-4-5-11(14-2)12(7-10)16-3/h4-5,7,9H,6H2,1-3H3 |
| InChIKey |
CBUWXMOXGPLQSH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
253.378 g/mol |
| Nominal Mass |
253 u |
| Quality |
982 |
| Retention Index |
1801 |
| SMILES |
C1(=CC(=C(C=C1)OC)SC)CC(N=C=S)C |
| SPLASH |
splash10-014i-2920000000-5ca48942a4fc7772ef01 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(4-Methoxy-3-methylthiophenyl)-2-isothiocyanatopropane
4-(2-isothiocyanatopropyl)-1-methoxy-2-methylthiobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016931 |
