| SpectraBase Compound ID | 35htm8S0lLU |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-2-18-16(17)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3/b14-12+ |
| InChIKey | CLRGACHONSUKRM-WYMLVPIESA-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 | 8dJsAR8cH6a |
|---|---|
| Name | Ethyl 2-(2-phenylcyclohexylidene)acetate |
| 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/c1-2-18-16(17)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3/b14-12+ |
| InChIKey | CLRGACHONSUKRM-WYMLVPIESA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(\C=C\1C(C=2C=CC=CC2)CCCC1)(=O)OCC |