| SpectraBase Spectrum ID |
5VpMS8AMhI8 |
| Name |
1-(2-Bromophenyl)-2-nitroprop-1-ene |
| CAS Registry Number |
155988-37-7 |
| 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)6-8-4-2-3-5-9(8)10/h2-6H,1H3/b7-6- |
| InChIKey |
PJRAZNOJIMDDKU-SREVYHEPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.072 g/mol |
| Nominal Mass |
241 u |
| Quality |
1000 |
| Retention Index |
1714 |
| SMILES |
C=1(C(=CC=CC1)Br)\C=C\([N+](=O)[O-])C |
| SPLASH |
splash10-0159-1900000000-e83bdc3c37e6d44a9200 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Bromo-2-(2-nitro-1-propen-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024356 |
