| SpectraBase Spectrum ID |
5Wj6d1ZbAPY |
| Name |
1-(4-Methylsulfonylphenyl)-2-nitrobut-1-ene |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
255.056529073 u |
| Formula |
C11H13NO4S |
| InChI |
InChI=1S/C11H13NO4S/c1-3-10(12(13)14)8-9-4-6-11(7-5-9)17(2,15)16/h4-8H,3H2,1-2H3/b10-8- |
| InChIKey |
HREGAIOYOLGWIQ-NTMALXAHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
255.288 g/mol |
| Nominal Mass |
255 u |
| Quality |
974 |
| Retention Index |
2172 |
| SMILES |
C1(S(=O)(=O)C)=CC=C(\C=C\([N+](=O)[O-])CC)C=C1 |
| SPLASH |
splash10-0059-4900000000-697e169b7e5ea24ca754 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(methylsulfonyl)-4-(2-nitrobut-1-en-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005360 |
