| SpectraBase Spectrum ID |
IZA5oKL6T8a |
| Name |
1-(4-Methylthiophenyl)-2-nitrobut-1-ene I |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
223.066699835 u |
| Formula |
C11H13NO2S |
| InChI |
InChI=1S/C11H13NO2S/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3/b10-8- |
| InChIKey |
DVJHNYGDTHKZJW-NTMALXAHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
223.290 g/mol |
| Nominal Mass |
223 u |
| Quality |
993 |
| Retention Index |
1878 |
| SMILES |
C=1(\C=C\([N+](=O)[O-])CC)C=CC(=CC1)SC |
| SPLASH |
splash10-00b9-2910000000-35e17fab9230a97d72e9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methylthio-beta-ethyl-beta-nitrostyrene I
1-methylthio-4-(2-nitrobut-1-en-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004776 |
