| SpectraBase Spectrum ID |
JGHS4SuVrXc |
| Name |
3'-Nitroacetophenone |
| CAS Registry Number |
121-89-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
165.042593086 u |
| Formula |
C8H7NO3 |
| InChI |
InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3 |
| InChIKey |
ARKIFHPFTHVKDT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
165.148 g/mol |
| Nominal Mass |
165 u |
| Quality |
998 |
| Retention Index |
1404 |
| SMILES |
C=1(C=C([N+](=O)[O-])C=CC1)C(=O)C |
| SPLASH |
splash10-0udi-4900000000-71be2be25112acc134f6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetophenone,3'-nitro-
m-Nitroacetophenone
1-(3-Nitrophenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024348 |
