| SpectraBase Spectrum ID |
2otJqRjF5Qe |
| Name |
1-(3-Bromophenyl)-2-nitroprop-1-ene |
| CAS Registry Number |
15804-72-5 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
240.973841500 u |
| Formula |
C9H8BrNO2 |
| InChI |
InChI=1S/C9H8BrNO2/c1-7(11(12)13)5-8-3-2-4-9(10)6-8/h2-6H,1H3/b7-5- |
| InChIKey |
YIYKNVSMWCPXES-ALCCZGGFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.072 g/mol |
| Nominal Mass |
241 u |
| Quality |
990 |
| Retention Index |
1655 |
| SMILES |
C=1(\C=C\([N+](=O)[O-])C)C=C(C=CC1)Br |
| SPLASH |
splash10-014i-3910000000-d96ff858155c7cebccc9 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Bromo-3-(2-nitro-1-propen-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024357 |
