| SpectraBase Spectrum ID |
JHWJNVjhzDE |
| Name |
3-Me-4-MA isothiocyanate |
| Classification |
Amphetamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
221.087435280 u |
| Formula |
C12H15NOS |
| InChI |
InChI=1S/C12H15NOS/c1-9-6-11(4-5-12(9)14-3)7-10(2)13-8-15/h4-6,10H,7H2,1-3H3 |
| InChIKey |
WUBLLWVVZTVVBL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.318 g/mol |
| Nominal Mass |
221 u |
| Quality |
996 |
| Retention Index |
1621 |
| SMILES |
C1(=C(C=C(CC(N=C=S)C)C=C1)C)OC |
| SPLASH |
splash10-000i-1910000000-4683b4f75b03d3daa982 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(4-Methoxy-3-methylphenyl)-2-isothiocyanatopropane
4-(2-isothiocyanatopropyl)-1-methoxy-2-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016934 |
