| SpectraBase Compound ID | AcfKR637w5W |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-19(2,3)14(12-17(21)20(4,5)6)18-15(23-8)10-13(22-7)11-16(18)24-9/h10-11,14H,12H2,1-9H3 |
| InChIKey | WDJYBVRLYSOCNZ-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6BVTXsVO27Q |
|---|---|
| Name | 3-Heptanone, 2,2,6,6-tetramethyl-5-(2,4,6-trimethoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-19(2,3)14(12-17(21)20(4,5)6)18-15(23-8)10-13(22-7)11-16(18)24-9/h10-11,14H,12H2,1-9H3 |
| InChIKey | WDJYBVRLYSOCNZ-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C=1(C(CC(C(C)(C)C)=O)C(C)(C)C)C(=CC(=CC1OC)OC)OC |