| SpectraBase Compound ID | 6ThA494LUZt |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | ZZVXTAUUUUCLAG-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 | 3Kotq676UxW |
|---|---|
| Name | 4-Nitrophenoxyacetic acid 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(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | ZZVXTAUUUUCLAG-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | C(COC1=CC=C(C=C1)N(=O)=O)(=O)OC |