| SpectraBase Compound ID | IembmspXMKe |
|---|---|
| InChI | InChI=1S/C22H22O2/c23-22(24-15-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h4-7,10-14,16H,1-3,8-9,15H2 |
| InChIKey | KRSPXCRBCAQJPR-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C22H22O2 |
| Exact Mass | 318.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KP1eV1xUGmH |
|---|---|
| Name | Cyclohexanemethyl anthracene-9-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.161979946 u |
| Formula | C22H22O2 |
| InChI | InChI=1S/C22H22O2/c23-22(24-15-16-8-2-1-3-9-16)21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h4-7,10-14,16H,1-3,8-9,15H2 |
| InChIKey | KRSPXCRBCAQJPR-UHFFFAOYSA-N |
| Molecular Weight | 318.416 g/mol |
| SMILES | C1(C(OCC2CCCCC2)=O)=C2C(C=CC=C2)=CC=2C1=CC=CC2 |