| SpectraBase Compound ID | 7wbGChOJTIV |
|---|---|
| InChI | InChI=1S/C20H22O3/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)23-20(22)16-11-5-2-6-12-16/h1-6,9-12,17-19,21H,7-8,13-14H2 |
| InChIKey | AIHJVNQSLYMMLB-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C20H22O3 |
| Exact Mass | 310.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIveftpQIZz |
|---|---|
| Name | .alpha.-(2-Hydroxycyclohex-1-yl)benzyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.156894565 u |
| Formula | C20H22O3 |
| InChI | InChI=1S/C20H22O3/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)23-20(22)16-11-5-2-6-12-16/h1-6,9-12,17-19,21H,7-8,13-14H2 |
| InChIKey | AIHJVNQSLYMMLB-UHFFFAOYSA-N |
| Molecular Weight | 310.393 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OC(C=1C=CC=CC1)C1C(CCCC1)O |