| SpectraBase Spectrum ID |
8FBPiroHaKW |
| Name |
3,5-Dinitrobenzoicacidethyl ester |
| CAS Registry Number |
33672-95-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
240.038235980 u |
| Formula |
C9H8N2O6 |
| InChI |
InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3 |
| InChIKey |
IBQREHJPMPCXQA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
240.171 g/mol |
| Nominal Mass |
240 u |
| Quality |
994 |
| Retention Index |
1845 |
| SMILES |
C1(=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(OCC)=O |
| SPLASH |
splash10-0002-5910000000-87bd2c1fdb09434106e4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 3,5-dinitrobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001161 |
