| SpectraBase Compound ID | 4BmiFcKtKiB |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-3-4-8-13-11-14(18)15(17(20-2)16(13)19)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | RQVKRNUVGSXPHC-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pZ9hSaaWkO |
|---|---|
| Name | 5-N-Butyl-3-methoxy-2-phenyl-2,5-cyclohexadiene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-3-4-8-13-11-14(18)15(17(20-2)16(13)19)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | RQVKRNUVGSXPHC-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=O)C=C(C1=O)CCCC)C=1C=CC=CC1)OC |