| SpectraBase Compound ID | 27GW6bD6vs |
|---|---|
| InChI | InChI=1S/C11H9NO5/c13-10(9-5-6-17-11(9)14)7-1-3-8(4-2-7)12(15)16/h1-4,9H,5-6H2 |
| InChIKey | LHKLOEMFMKWVHJ-UHFFFAOYSA-N |
| Mol Weight | 235.19 g/mol |
| Molecular Formula | C11H9NO5 |
| Exact Mass | 235.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 863pFk6jkNy |
|---|---|
| Name | Perhydro-3-(p-nitrobenzoyl)-2-oxofuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.048072389 u |
| Formula | C11H9NO5 |
| InChI | InChI=1S/C11H9NO5/c13-10(9-5-6-17-11(9)14)7-1-3-8(4-2-7)12(15)16/h1-4,9H,5-6H2 |
| InChIKey | LHKLOEMFMKWVHJ-UHFFFAOYSA-N |
| Molecular Weight | 235.195 g/mol |
| SMILES | C1(C(=O)OCC1)C(C1=CC=C(N(=O)=O)C=C1)=O |