| SpectraBase Compound ID | 21l7ndzxdaq |
|---|---|
| InChI | InChI=1S/C14H13NO6/c1-9(16)20-12-6-7-13(8-12)21-14(17)10-2-4-11(5-3-10)15(18)19/h2-7,12-13H,8H2,1H3/t12-,13-/m0/s1 |
| InChIKey | QCUQPAYBIZFVBP-STQMWFEESA-N |
| Mol Weight | 291.26 g/mol |
| Molecular Formula | C14H13NO6 |
| Exact Mass | 291.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ofwiTTvJOd |
|---|---|
| Name | p-Nitrobenzoic acid (1R,4R)-4-acetoxycyclopent-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.074287137 u |
| Formula | C14H13NO6 |
| InChI | InChI=1S/C14H13NO6/c1-9(16)20-12-6-7-13(8-12)21-14(17)10-2-4-11(5-3-10)15(18)19/h2-7,12-13H,8H2,1H3/t12-,13-/m0/s1 |
| InChIKey | QCUQPAYBIZFVBP-STQMWFEESA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(O[C@]2(C=C[C@@](C2)(OC(=O)C)[H])[H])=O)C=C1 |