| SpectraBase Compound ID | DZwlQDjFtZm |
|---|---|
| InChI | InChI=1S/C13H16N2O8/c1-2-21-3-4-22-5-6-23-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3 |
| InChIKey | IBROIYRFSMWSLH-UHFFFAOYSA-N |
| Mol Weight | 328.28 g/mol |
| Molecular Formula | C13H16N2O8 |
| Exact Mass | 328.090665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D2z8IHZFD0N |
|---|---|
| Name | 2-(2-Ethoxyethoxy)ethyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.090665475 u |
| Formula | C13H16N2O8 |
| InChI | InChI=1S/C13H16N2O8/c1-2-21-3-4-22-5-6-23-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3 |
| InChIKey | IBROIYRFSMWSLH-UHFFFAOYSA-N |
| Molecular Weight | 328.277 g/mol |
| SMILES | CCOCCOCCOC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O |