| SpectraBase Spectrum ID |
8FOygGghhEe |
| Name |
2-Bromo-4'-nitroacetophenone |
| CAS Registry Number |
99-81-0 |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.953106054 u |
| Formula |
C8H6BrNO3 |
| InChI |
InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 |
| InChIKey |
MBUPVGIGAMCMBT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.044 g/mol |
| Nominal Mass |
243 u |
| Quality |
999 |
| Retention Index |
1733 |
| SMILES |
C=1(C(CBr)=O)C=CC(=CC1)[N+](=O)[O-] |
| SPLASH |
splash10-0udi-3900000000-9e3df3624a98e15541f3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Bromo-1-(4-nitrophenyl)ethanone
4-Nitrophenacyl bromide
p-Nitrophenacyl bromide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024334 |
