| SpectraBase Compound ID | AAbFsxWTooJ |
|---|---|
| InChI | InChI=1S/C17H20O6/c1-16(2,3)17(4)22-14(19)11(15(20)23-17)8-10-6-7-12(18)13(9-10)21-5/h6-9,18H,1-5H3/b11-8- |
| InChIKey | XVECABHVMDTWDJ-FLIBITNWSA-N |
| Mol Weight | 320.34 g/mol |
| Molecular Formula | C17H20O6 |
| Exact Mass | 320.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBe9jYQaMOK |
|---|---|
| Name | 2-Tert-butyl-5-(4-hydroxy-3-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.125988358 u |
| Formula | C17H20O6 |
| InChI | InChI=1S/C17H20O6/c1-16(2,3)17(4)22-14(19)11(15(20)23-17)8-10-6-7-12(18)13(9-10)21-5/h6-9,18H,1-5H3/b11-8- |
| InChIKey | XVECABHVMDTWDJ-FLIBITNWSA-N |
| SMILES | OC1=CC=C(C=C2C(OC(OC2=O)(C(C)(C)C)C)=O)C=C1OC |