| SpectraBase Compound ID | EUjuC4r34G8 |
|---|---|
| InChI | InChI=1S/C23H18O3/c24-22(16-8-2-1-3-9-16)23(25)26-15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-14,22,24H,15H2 |
| InChIKey | CMRHRWIFNQJPGF-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C23H18O3 |
| Exact Mass | 342.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5uUgshatPq |
|---|---|
| Name | 9-Phenanthrenemethyl mandelate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.125594437 u |
| Formula | C23H18O3 |
| InChI | InChI=1S/C23H18O3/c24-22(16-8-2-1-3-9-16)23(25)26-15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-14,22,24H,15H2 |
| InChIKey | CMRHRWIFNQJPGF-UHFFFAOYSA-N |
| Molecular Weight | 342.394 g/mol |
| SMILES | C=12C(=C(COC(C(C3=CC=CC=C3)O)=O)C=C3C1C=CC=C3)C=CC=C2 |