| SpectraBase Compound ID | GQQBeuIO5Xr |
|---|---|
| InChI | InChI=1S/C21H20O2/c22-21(23-17-10-2-1-3-11-17)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h4-9,12-14,17H,1-3,10-11H2 |
| InChIKey | LWXADQUXKYGIHI-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C21H20O2 |
| Exact Mass | 304.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7jlyrLHwJv |
|---|---|
| Name | 9-Cyclohexylanthroate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.146329882 u |
| Formula | C21H20O2 |
| InChI | InChI=1S/C21H20O2/c22-21(23-17-10-2-1-3-11-17)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h4-9,12-14,17H,1-3,10-11H2 |
| InChIKey | LWXADQUXKYGIHI-UHFFFAOYSA-N |
| Molecular Weight | 304.389 g/mol |
| SMILES | c1ccc2c(c1)cc1c(c2C(=O)OC2CCCCC2)cccc1 |