| SpectraBase Compound ID | 5TbLS6ygYDY |
|---|---|
| InChI | InChI=1S/C14H18O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2 |
| InChIKey | CINNWVCWEFZMGR-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fr0nU4c3DVV |
|---|---|
| Name | Benzoic acid, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2 |
| InChIKey | CINNWVCWEFZMGR-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1CCC(CC1)COC(C1=CC=CC=C1)=O |