| SpectraBase Spectrum ID |
JH71Q3FqzPE |
| Name |
1-[2-Nitroethenyl]-4-(propan-2-yl)benzene |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.094628661 u |
| Formula |
C11H13NO2 |
| InChI |
InChI=1S/C11H13NO2/c1-9(2)11-5-3-10(4-6-11)7-8-12(13)14/h3-9H,1-2H3/b8-7- |
| InChIKey |
PLOZMGIWCWVROY-FPLPWBNLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
191.230 g/mol |
| Nominal Mass |
191 u |
| Quality |
979 |
| Retention Index |
1684 |
| SMILES |
C=1(C=CC(=CC1)\C=C/[N+](=O)[O-])C(C)C |
| SPLASH |
splash10-004j-3900000000-144f4cf42c6e62237ef7 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024277 |
