| SpectraBase Compound ID | Gf8rGkx66ng |
|---|---|
| InChI | InChI=1S/C14H11NO5/c1-19-14(16)10-3-2-4-13(9-10)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3 |
| InChIKey | XLZUUZMFAKIMLB-UHFFFAOYSA-N |
| Mol Weight | 273.24 g/mol |
| Molecular Formula | C14H11NO5 |
| Exact Mass | 273.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36oclJ4eJkV |
|---|---|
| Name | Methyl 3-(4-nitrophenoxy)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.063722453 u |
| Formula | C14H11NO5 |
| InChI | InChI=1S/C14H11NO5/c1-19-14(16)10-3-2-4-13(9-10)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3 |
| InChIKey | XLZUUZMFAKIMLB-UHFFFAOYSA-N |
| Molecular Weight | 273.244 g/mol |
| SMILES | c1(N(=O)=O)ccc(Oc2cc(C(=O)OC)ccc2)cc1 |