| SpectraBase Spectrum ID |
JJ3acWw1K2S |
| Name |
2,5-Dimethoxy-4-(ethylthio)benzaldehyde |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.066365482 u |
| Formula |
C11H14O3S |
| InChI |
InChI=1S/C11H14O3S/c1-4-15-11-6-9(13-2)8(7-12)5-10(11)14-3/h5-7H,4H2,1-3H3 |
| InChIKey |
NLFKCRKWYGOBKL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.290 g/mol |
| Nominal Mass |
226 u |
| Quality |
988 |
| Retention Index |
1851 |
| SMILES |
C1(=C(C=C(C(=C1)C=O)OC)SCC)OC |
| SPLASH |
splash10-004i-9750000000-43ea893472bda0bb2837 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(ethylsulfanyl)-2,5-dimethoxybenzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008361 |
