| SpectraBase Compound ID | A9GZe9l1zgy |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-14-9-3-2-7(5-15-6-11)4-8(9)10(12)13/h2-4,6H,5H2,1H3 |
| InChIKey | VFCJZZYJXYIJQS-UHFFFAOYSA-N |
| Mol Weight | 211.17 g/mol |
| Molecular Formula | C9H9NO5 |
| Exact Mass | 211.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3Fd7ZO9HHK |
|---|---|
| Name | Formic acid, (4-methoxy-3-nitrophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.048072389 u |
| Formula | C9H9NO5 |
| InChI | InChI=1S/C9H9NO5/c1-14-9-3-2-7(5-15-6-11)4-8(9)10(12)13/h2-4,6H,5H2,1H3 |
| InChIKey | VFCJZZYJXYIJQS-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | C1=C(C=C(C(=C1)OC)N(=O)=O)COC=O |