| SpectraBase Compound ID | FJw2VpYRxH2 |
|---|---|
| InChI | InChI=1S/C12H11NO6/c1-2-18-11(14)6-7-12(15)19-10-5-3-4-9(8-10)13(16)17/h3-8H,2H2,1H3/b7-6+ |
| InChIKey | FLMSXPCTJTUQGF-VOTSOKGWSA-N |
| Mol Weight | 265.22 g/mol |
| Molecular Formula | C12H11NO6 |
| Exact Mass | 265.058637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbSNsxSJvxR |
|---|---|
| Name | Fumaric acid, ethyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.058637072 u |
| Formula | C12H11NO6 |
| InChI | InChI=1S/C12H11NO6/c1-2-18-11(14)6-7-12(15)19-10-5-3-4-9(8-10)13(16)17/h3-8H,2H2,1H3/b7-6+ |
| InChIKey | FLMSXPCTJTUQGF-VOTSOKGWSA-N |
| Molecular Weight | 265.221 g/mol |
| SMILES | C1=CC=C(OC(\C=C\C(OCC)=O)=O)C=C1N(=O)=O |