| SpectraBase Compound ID | LezrjSeXKyA |
|---|---|
| InChI | InChI=1S/C13H10N2O5/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey | CEKPDDJQMYRXPN-UHFFFAOYSA-N |
| Mol Weight | 274.23 g/mol |
| Molecular Formula | C13H10N2O5 |
| Exact Mass | 274.058971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCDxCkYyxhR |
|---|---|
| Name | 2,4-Dinitro-1-(p-tolyloxy)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.058971425 u |
| Formula | C13H10N2O5 |
| InChI | InChI=1S/C13H10N2O5/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey | CEKPDDJQMYRXPN-UHFFFAOYSA-N |
| Molecular Weight | 274.232 g/mol |
| SMILES | C1=C(OC2=CC=C(C=C2)C)C(=CC(=C1)N(=O)=O)N(=O)=O |