| SpectraBase Spectrum ID |
5ZYW7TbYwVs |
| Name |
Acetic acid 4-nitrophenyl ester |
| CAS Registry Number |
830-03-5 |
| Classification |
Insecticide |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.037507705 u |
| Formula |
C8H7NO4 |
| InChI |
InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 |
| InChIKey |
QAUUDNIGJSLPSX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.147 g/mol |
| Nominal Mass |
181 u |
| Quality |
848 |
| Retention Index |
1368 |
| SMILES |
C1(=CC=C([N+](=O)[O-])C=C1)OC(=O)C |
| SPLASH |
splash10-07ci-9800000000-df1844db974eb1fff4db |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid p-nitrophenyl ester
p-Acetoxynitrobenzene
(4-Nitrophenyl) acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003247 |
