| SpectraBase Compound ID | An8qg368v1Q |
|---|---|
| InChI | InChI=1S/C20H20O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2 |
| InChIKey | ZLWCKIITGASJBS-UHFFFAOYSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fnp07vc5RG |
|---|---|
| Name | 1,4-Cyclohexanediol, dibenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.136159120 u |
| Formula | C20H20O4 |
| InChI | InChI=1S/C20H20O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2 |
| InChIKey | ZLWCKIITGASJBS-UHFFFAOYSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C(OC1CCC(CC1)OC(=O)C1=CC=CC=C1)(=O)C1=CC=CC=C1 |