| SpectraBase Compound ID | AibGs3c69FE |
|---|---|
| InChI | InChI=1S/C16H19NO2/c1-2-13-5-3-4-6-15(13)19-16(18)14-9-7-12(11-17)8-10-14/h7-10,13,15H,2-6H2,1H3 |
| InChIKey | NVCNIHJFOQVAJP-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C16H19NO2 |
| Exact Mass | 257.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT4oypkvrtx |
|---|---|
| Name | 4-Cyanobenzoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.141578854 u |
| Formula | C16H19NO2 |
| InChI | InChI=1S/C16H19NO2/c1-2-13-5-3-4-6-15(13)19-16(18)14-9-7-12(11-17)8-10-14/h7-10,13,15H,2-6H2,1H3 |
| InChIKey | NVCNIHJFOQVAJP-UHFFFAOYSA-N |
| Molecular Weight | 257.333 g/mol |
| SMILES | C1(OC(C2=CC=C(C=C2)C#N)=O)C(CCCC1)CC |