| SpectraBase Compound ID | Fi8t0D7zirg |
|---|---|
| InChI | InChI=1S/C20H22O3/c1-14(2)23-18-10-11-19(15(3)13-18)20(21)12-7-16-5-8-17(22-4)9-6-16/h5-14H,1-4H3/b12-7+ |
| InChIKey | MKRWDRRJSIADMB-KPKJPENVSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C20H22O3 |
| Exact Mass | 310.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJSlL6CWaZ1 |
|---|---|
| Name | 4'-(Isopropyl)oxy-4-methoxy-2'-methylchalcone (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.156894565 u |
| Formula | C20H22O3 |
| InChI | InChI=1S/C20H22O3/c1-14(2)23-18-10-11-19(15(3)13-18)20(21)12-7-16-5-8-17(22-4)9-6-16/h5-14H,1-4H3/b12-7+ |
| InChIKey | MKRWDRRJSIADMB-KPKJPENVSA-N |
| Molecular Weight | 310.393 g/mol |
| SMILES | C1(=C(C=C(C=C1)OC(C)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O |