| SpectraBase Compound ID | 7KaX4EpWfAD |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-18(20,17(19)21-2)16-9-5-8-14-13-7-4-3-6-12(13)10-11-15(14)16/h3-11,20H,1-2H3 |
| InChIKey | GTYFTFHRRGQWNV-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWRyxOHVdNa |
|---|---|
| Name | 2-Hydroxy-2-(1-phenanthrenyl)propanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-18(20,17(19)21-2)16-9-5-8-14-13-7-4-3-6-12(13)10-11-15(14)16/h3-11,20H,1-2H3 |
| InChIKey | GTYFTFHRRGQWNV-UHFFFAOYSA-N |
| SMILES | C(C(C)(C=1C=CC=C2C3=CC=CC=C3C=CC12)O)(=O)OC |