| SpectraBase Compound ID | 56L1cYMK4Wb |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-3-4-10-15-16(19)12-14(17(20)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3 |
| InChIKey | GLVSMAUZWLPWKH-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nW8BIBoGxl |
|---|---|
| Name | 2-N-Butyl-3-methoxy-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-3-4-10-15-16(19)12-14(17(20)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3 |
| InChIKey | GLVSMAUZWLPWKH-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=O)C=C(C1=O)CC1=CC=CC=C1)CCCC)OC |