| SpectraBase Spectrum ID |
JG4dTa1JEw4 |
| Name |
1-(3,5-Dimethoxyphenyl)-2-nitroprop-1-ene |
| CAS Registry Number |
18917-76-5 |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
223.084457899 u |
| Formula |
C11H13NO4 |
| InChI |
InChI=1S/C11H13NO4/c1-8(12(13)14)4-9-5-10(15-2)7-11(6-9)16-3/h4-7H,1-3H3/b8-4- |
| InChIKey |
COWWUDOIMZXGFM-YWEYNIOJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
223.228 g/mol |
| Nominal Mass |
223 u |
| Quality |
999 |
| Retention Index |
1665 |
| SMILES |
C=1(C=C(C=C(C1)OC)OC)\C=C\([N+](=O)[O-])C |
| SPLASH |
splash10-00fr-5920000000-1fac8368150a98792438 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Dimethoxy-5-(2-nitro-1-propen-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024361 |
