| SpectraBase Spectrum ID |
JJ2rtdotDGa |
| Name |
1-(4-Methylphenyl)-2-nitroethene |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.063328532 u |
| Formula |
C9H9NO2 |
| InChI |
InChI=1S/C9H9NO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6- |
| InChIKey |
JSPNBERPFLONRX-SREVYHEPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.176 g/mol |
| Nominal Mass |
163 u |
| Quality |
976 |
| Retention Index |
1482 |
| SMILES |
C=1(\C=C/[N+](=O)[O-])C=CC(=CC1)C |
| SPLASH |
splash10-014i-6900000000-7fa93f928f2e8b8095cf |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-4-(2-nitroethenyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024273 |
