| SpectraBase Spectrum ID |
1CR35TuVv6 |
| Name |
MAL isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
293.108564647 u |
| Formula |
C15H19NO3S |
| InChI |
InChI=1S/C15H19NO3S/c1-11(2)9-19-15-13(17-3)7-12(5-6-16-10-20)8-14(15)18-4/h7-8H,1,5-6,9H2,2-4H3 |
| InChIKey |
DQWQVMJCOGFSEF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
293.381 g/mol |
| Nominal Mass |
293 u |
| Quality |
978 |
| Retention Index |
2127 |
| SMILES |
C1(=C(C=C(C=C1OC)CCN=C=S)OC)OCC(=C)C |
| SPLASH |
splash10-002r-4790000000-f124a9427c7c3ddbfc04 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methallylescaline isothiocyanate
2-(4-Methallyloxy-3,5-dimethoxyphenyl)-1-isothiocyanatoethane
5-(2-isothiocyanatoethyl)-1,3-dimethoxy-2-((2-methylprop-2-en-1-yl)oxy)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016928 |
