| SpectraBase Compound ID | I7SLqttFuXr |
|---|---|
| InChI | InChI=1S/C12H14N2O8/c1-20-2-3-21-4-5-22-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h6-8H,2-5H2,1H3 |
| InChIKey | MPRFLYOPKSBFJK-UHFFFAOYSA-N |
| Mol Weight | 314.25 g/mol |
| Molecular Formula | C12H14N2O8 |
| Exact Mass | 314.075015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5djthghvU4p |
|---|---|
| Name | 2-(2-Methoxyethoxy)ethyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.075015411 u |
| Formula | C12H14N2O8 |
| InChI | InChI=1S/C12H14N2O8/c1-20-2-3-21-4-5-22-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h6-8H,2-5H2,1H3 |
| InChIKey | MPRFLYOPKSBFJK-UHFFFAOYSA-N |
| Molecular Weight | 314.250 g/mol |
| SMILES | COCCOCCOC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O |