| SpectraBase Spectrum ID |
JHHg4YrObTM |
| Name |
(E)-1-(3,4,5-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/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4+ |
| InChIKey |
PEPYBEJQAIGLRE-SNAWJCMRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.227 g/mol |
| Nominal Mass |
239 u |
| Quality |
993 |
| Retention Index |
1777 |
| SMILES |
C1(=C(C=C(C=C1OC)\C=C\[N+](=O)[O-])OC)OC |
| SPLASH |
splash10-002u-4920000000-872212c673fa9de57d05 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2,3-trimethoxy-5-((E)-2-nitroethenyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025860 |
