| SpectraBase Spectrum ID |
Dm6YYMWEq3c |
| Name |
1-(3,5-Dimethoxyphenyl)-2-nitroethene |
| CAS Registry Number |
56723-84-3 |
| 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 |
209.068807834 u |
| Formula |
C10H11NO4 |
| InChI |
InChI=1S/C10H11NO4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3/b4-3+ |
| InChIKey |
LIROLLNTVLAPGP-ONEGZZNKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
209.201 g/mol |
| Nominal Mass |
209 u |
| Quality |
991 |
| Retention Index |
1862 |
| SMILES |
C1(=CC(=CC(=C1)OC)OC)\C=C\[N+](=O)[O-] |
| SPLASH |
splash10-0a4i-8940000000-5d7d7b488a77062315a9 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(3,5-Dimethoxyphenyl)-1-nitroethene
Ethylene,1-nitro-2-[3,5-dimethoxyphenyl]- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024302 |
