| SpectraBase Compound ID | 5kJ5IbUVfZ3 |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-6-8-13(20)16-15(21-5)9-14(22-10(3)18)12(7-2)17(16)23-11(4)19/h9H,6-8H2,1-5H3 |
| InChIKey | KPWROGIHEOTGOS-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C17H22O6 |
| Exact Mass | 322.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAEGJB9LZsZ |
|---|---|
| Name | 1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.141638422 u |
| Formula | C17H22O6 |
| InChI | InChI=1S/C17H22O6/c1-6-8-13(20)16-15(21-5)9-14(22-10(3)18)12(7-2)17(16)23-11(4)19/h9H,6-8H2,1-5H3 |
| InChIKey | KPWROGIHEOTGOS-UHFFFAOYSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | C(CCC)(=O)C1=C(C(=C(C=C1OC)OC(=O)C)CC)OC(=O)C |