| SpectraBase Spectrum ID |
B0BQcxspK3E |
| Name |
Methyl 3,5-dinitro benzoate |
| CAS Registry Number |
2702-58-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.022585915 u |
| Formula |
C8H6N2O6 |
| InChI |
InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3 |
| InChIKey |
POGCCFLNFPIIGW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.144 g/mol |
| Nominal Mass |
226 u |
| Quality |
987 |
| Retention Index |
1745 |
| SMILES |
C1(=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(OC)=O |
| SPLASH |
splash10-0002-3900000000-ae208b94050f798ef871 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3,5-dinitrobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025446 |
