| SpectraBase Compound ID | D3MM9WnCV2P |
|---|---|
| InChI | InChI=1S/C12H15NO2/c14-12(10-6-8-13-9-7-10)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
| InChIKey | UADBNACWGHSLIP-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ik1FOD9qd8P |
|---|---|
| Name | Isonicotinic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c14-12(10-6-8-13-9-7-10)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
| InChIKey | UADBNACWGHSLIP-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C1=C(C=CN=C1)C(=O)OC1CCCCC1 |