| SpectraBase Spectrum ID |
JEwhwEboWUy |
| Name |
2-Bromo-3'-nitroacetophenone |
| CAS Registry Number |
2227-64-7 |
| Classification |
Chemical |
| 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 |
242.953106054 u |
| Formula |
C8H6BrNO3 |
| InChI |
InChI=1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2 |
| InChIKey |
GZHPNIQBPGUSSX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.044 g/mol |
| Nominal Mass |
243 u |
| Quality |
996 |
| Retention Index |
1716 |
| SMILES |
C=1(C=C([N+](=O)[O-])C=CC1)C(CBr)=O |
| SPLASH |
splash10-0udi-3900000000-97fa274a2b87bf629419 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Nitrophenacyl bromide
alpha-Bromo-3-nitroacetophenone
2-Bromo-1-(3-nitrophenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024347 |
