| SpectraBase Compound ID | A3FVWdtiBso |
|---|---|
| InChI | InChI=1S/C16H19NO2/c1-2-19-16(18)15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h3-6,14-15H,2,7-10H2,1H3/t14-,15- |
| InChIKey | UFWYAEBXQBVSGC-SHTZXODSSA-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 | GGBSXV9cjl5 |
|---|---|
| Name | Ethyl trans-4-(4-cyanophenyl)cyclohexane carboxylate |
| 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/c1-2-19-16(18)15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h3-6,14-15H,2,7-10H2,1H3/t14-,15- |
| InChIKey | UFWYAEBXQBVSGC-SHTZXODSSA-N |
| Molecular Weight | 257.333 g/mol |
| SMILES | C1C[C@](CC[C@@]1(C(OCC)=O)[H])(C1=CC=C(C=C1)C#N)[H] |