| SpectraBase Compound ID | 3XYcwCaxz8B |
|---|---|
| InChI | InChI=1S/C19H16O3/c20-18(15-8-2-1-3-9-15)19(21)22-13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,18,20H,13H2 |
| InChIKey | UBVNUEFIUWJOGO-UHFFFAOYSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C19H16O3 |
| Exact Mass | 292.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDXkskw4z0g |
|---|---|
| Name | 1-Naphthalenemethyl mandelate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.109944372 u |
| Formula | C19H16O3 |
| InChI | InChI=1S/C19H16O3/c20-18(15-8-2-1-3-9-15)19(21)22-13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,18,20H,13H2 |
| InChIKey | UBVNUEFIUWJOGO-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=CC=CC1)O)(OCC=1C=2C(=CC=CC2)C=CC1)=O |