| SpectraBase Compound ID | LQftd3JiQHX |
|---|---|
| InChI | InChI=1S/C15H15NO5/c1-11(17)15(9-3-2-4-10-15)21-14(18)12-5-7-13(8-6-12)16(19)20/h2-3,5-8H,4,9-10H2,1H3/t15-/m0/s1 |
| InChIKey | MMVMOIVOQOLPQV-HNNXBMFYSA-N |
| Mol Weight | 289.29 g/mol |
| Molecular Formula | C15H15NO5 |
| Exact Mass | 289.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NK5ZSvtAR9 |
|---|---|
| Name | 1-Acetyl-3-cyclohexen-1-yl p-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.095022582 u |
| Formula | C15H15NO5 |
| InChI | InChI=1S/C15H15NO5/c1-11(17)15(9-3-2-4-10-15)21-14(18)12-5-7-13(8-6-12)16(19)20/h2-3,5-8H,4,9-10H2,1H3/t15-/m0/s1 |
| InChIKey | MMVMOIVOQOLPQV-HNNXBMFYSA-N |
| Molecular Weight | 289.287 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(C(O[C@@]2(C(=O)C)CC=CCC2)=O)=CC1 |