![2-t-Butyl-6-(2-hydroxy-2-phenylethyl)[1,3]dioxin-4-one](/api/spectrum/KRpdK0DPrRc/structure.png?h=300&w=458 "2-t-Butyl-6-(2-hydroxy-2-phenylethyl)[1,3]dioxin-4-one")
| SpectraBase Compound ID | AX93liscd8v |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-16(2,3)15-19-12(10-14(18)20-15)9-13(17)11-7-5-4-6-8-11/h4-8,10,13,15,17H,9H2,1-3H3 |
| InChIKey | QANINBCYATWGGV-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRpdK0DPrRc |
|---|---|
| Name | 2-T-Butyl-6-(2-hydroxy-2-phenylethyl)[1,3]dioxin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-16(2,3)15-19-12(10-14(18)20-15)9-13(17)11-7-5-4-6-8-11/h4-8,10,13,15,17H,9H2,1-3H3 |
| InChIKey | QANINBCYATWGGV-UHFFFAOYSA-N |
| SMILES | C1=CC(C(CC2=CC(=O)OC(O2)C(C)(C)C)O)=CC=C1 |