| SpectraBase Compound ID | I5EDFhz3INO |
|---|---|
| InChI | InChI=1S/C16H20O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2/b10-7+ |
| InChIKey | XLPDLIIZOULLSY-JXMROGBWSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gwm3gsqYyhe |
|---|---|
| Name | Cyclohexanecarboxylic acid, 3-phenylprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.146329882 u |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2/b10-7+ |
| InChIKey | XLPDLIIZOULLSY-JXMROGBWSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C1=CC=CC=C1\C=C\COC(=O)C1CCCCC1 |