| SpectraBase Spectrum ID |
2p9rKIBcPFw |
| Name |
1-(3,4-Methylenedioxyphenyl)-2-nitrobut-1-ene |
| Classification |
Phenylbutanamine designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-2-9(12(13)14)5-8-3-4-10-11(6-8)16-7-15-10/h3-6H,2,7H2,1H3/b9-5- |
| InChIKey |
LHWIZYOSZOQHOY-UITAMQMPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.212 g/mol |
| Nominal Mass |
221 u |
| Quality |
994 |
| Retention Index |
1697 |
| SMILES |
C1=2C(=CC=C(C2)\C=C\([N+](=O)[O-])CC)OCO1 |
| SPLASH |
splash10-00xr-4910000000-958afd697354dc3d865f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-((1Z)-2-nitrobut-1-en-1-yl)-1,3-benzodioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002238 |
