| SpectraBase Compound ID | 9Kh2yC9kw1D |
|---|---|
| InChI | InChI=1S/C16H22O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2 |
| InChIKey | HNNOWLIDJUXQBP-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uoW4yYKMuq |
|---|---|
| Name | Cyclohexanecarboxylic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2 |
| InChIKey | HNNOWLIDJUXQBP-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1CCCC(C1)C(OCCCC1=CC=CC=C1)=O |