| SpectraBase Compound ID | AUHNYW2AqbI |
|---|---|
| InChI | InChI=1S/C10H9NO6/c1-7(12)16-6-10(13)17-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3 |
| InChIKey | XGFYUGQGRUDVPI-UHFFFAOYSA-N |
| Mol Weight | 239.18 g/mol |
| Molecular Formula | C10H9NO6 |
| Exact Mass | 239.042987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5R7dXlfIUU |
|---|---|
| Name | Acetoxyacetic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.042987008 u |
| Formula | C10H9NO6 |
| InChI | InChI=1S/C10H9NO6/c1-7(12)16-6-10(13)17-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3 |
| InChIKey | XGFYUGQGRUDVPI-UHFFFAOYSA-N |
| Molecular Weight | 239.183 g/mol |
| SMILES | CC(OCC(OC1=CC=C(C=C1)N(=O)=O)=O)=O |