| SpectraBase Compound ID | 3UFOFa32EdY |
|---|---|
| InChI | InChI=1S/C13H15NO4/c1-13(2,3)18-12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9H,1-3H3/b9-6+ |
| InChIKey | SULXLGCTOCXWEE-RMKNXTFCSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C13H15NO4 |
| Exact Mass | 249.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JbbfF2phcL |
|---|---|
| Name | Tert-butyl (E)-4-nitrocinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.100107963 u |
| Formula | C13H15NO4 |
| InChI | InChI=1S/C13H15NO4/c1-13(2,3)18-12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9H,1-3H3/b9-6+ |
| InChIKey | SULXLGCTOCXWEE-RMKNXTFCSA-N |
| Molecular Weight | 249.266 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=C\C(OC(C)(C)C)=O)C=C1 |