![2-Tert-butyl-5-(3-methoxy-benzylidene)-6-methyl-[1,3]dioxan-4-one](/api/spectrum/HikNyVbq7BD/structure.png?h=300&w=458 "2-Tert-butyl-5-(3-methoxy-benzylidene)-6-methyl-[1,3]dioxan-4-one")
| SpectraBase Compound ID | ENu8tkrXTES |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-11-14(10-12-7-6-8-13(9-12)19-5)15(18)21-16(20-11)17(2,3)4/h6-11,16H,1-5H3/b14-10+ |
| InChIKey | BDBJGRHSXRFMDS-GXDHUFHOSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HikNyVbq7BD |
|---|---|
| Name | 2-Tert-butyl-5-(3-methoxy-benzylidene)-6-methyl-[1,3]dioxan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-11-14(10-12-7-6-8-13(9-12)19-5)15(18)21-16(20-11)17(2,3)4/h6-11,16H,1-5H3/b14-10+ |
| InChIKey | BDBJGRHSXRFMDS-GXDHUFHOSA-N |
| SMILES | C1(=CC(=CC=C1)OC)\C=C/1C(OC(OC1=O)C(C)(C)C)C |