| SpectraBase Spectrum ID |
87fbGydzAfk |
| Name |
(E)-1-(4-iso-Propylphenyl)-2-nitrobut-1-ene |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.125928789 u |
| Formula |
C13H17NO2 |
| InChI |
InChI=1S/C13H17NO2/c1-4-13(14(15)16)9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3/b13-9+ |
| InChIKey |
MGDJODBXMTWKNC-UKTHLTGXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.284 g/mol |
| Nominal Mass |
219 u |
| Quality |
983 |
| Retention Index |
1751 |
| SMILES |
C=1(C=CC(\C=C/([N+](=O)[O-])CC)=CC1)C(C)C |
| SPLASH |
splash10-002f-6900000000-63be505b52f3f010ac72 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-((1E)-2-nitrobut-1-en-1-yl)-4-(propan-2-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007258 |
