| SpectraBase Spectrum ID |
2pD7dxrTFEO |
| Name |
(E)-1-(2,3,4-Trimethoxyphenyl)-2-nitroethene |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-15-9-5-4-8(6-7-12(13)14)10(16-2)11(9)17-3/h4-7H,1-3H3/b7-6+ |
| InChIKey |
UIAAKXDJMXMFMG-VOTSOKGWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.227 g/mol |
| Nominal Mass |
239 u |
| Quality |
999 |
| Retention Index |
1970 |
| SMILES |
C=1(C(=C(C=CC1\C=C\[N+](=O)[O-])OC)OC)OC |
| SPLASH |
splash10-000l-4930000000-a70c8597d1a803b30165 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethylene,1-[2,3,4-methoxyphenyl]-2-nitro-
(E)-2,3,4-Trimethoxy-beta-nitrostyrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024303 |
