| SpectraBase Compound ID | 93EjBiASHaI |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-17(2,3)20-16(19)11-15(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,18H,11H2,1-3H3 |
| InChIKey | HDUBSUQPNLWMBP-UHFFFAOYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AV7kfUrxF7G |
|---|---|
| Name | Propanoic acid, 3-hydroxy-3-(1-naphthyl)-, T-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-17(2,3)20-16(19)11-15(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,18H,11H2,1-3H3 |
| InChIKey | HDUBSUQPNLWMBP-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC2=C1C=CC=C2)C(CC(=O)OC(C)(C)C)O |