| SpectraBase Spectrum ID |
JIL665VoHEO |
| Name |
4-Nitroacetophenone |
| CAS Registry Number |
100-19-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| 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)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3 |
| InChIKey |
YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
165.148 g/mol |
| Nominal Mass |
165 u |
| Quality |
997 |
| Retention Index |
1400 |
| SMILES |
C=1([N+](=O)[O-])C=CC(C(=O)C)=CC1 |
| SPLASH |
splash10-0udi-5900000000-71a8ba8f4040f42a3fdf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetophenone,4-nitro-
p-Nitroacetophenone
1-(4-Nitrophenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024335 |
