| SpectraBase Compound ID | B49rnMKynLF |
|---|---|
| InChI | InChI=1S/C11H11NO4/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)12(14)15/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | TYYXOWPEFVCPDV-BQYQJAHWSA-N |
| Mol Weight | 221.21 g/mol |
| Molecular Formula | C11H11NO4 |
| Exact Mass | 221.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFOweUvxTs3 |
|---|---|
| Name | 2-Propenoic acid, 3-(2-nitrophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.068807834 u |
| Formula | C11H11NO4 |
| InChI | InChI=1S/C11H11NO4/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)12(14)15/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | TYYXOWPEFVCPDV-BQYQJAHWSA-N |
| Molecular Weight | 221.212 g/mol |
| SMILES | C1=C(C(=CC=C1)N(=O)=O)\C=C\C(OCC)=O |