| SpectraBase Compound ID | 3LZ4HsFY4Bs |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-5-15(2)25-20-9-7-6-8-18(20)19(22)13-11-16-10-12-17(23-3)14-21(16)24-4/h6-15H,5H2,1-4H3/b13-11+ |
| InChIKey | HJUOVUZHAHZCLE-ACCUITESSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfZGu8K4yXB |
|---|---|
| Name | 2,4-Dimethoxy-2'-(2-butyl)oxychalcone (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-5-15(2)25-20-9-7-6-8-18(20)19(22)13-11-16-10-12-17(23-3)14-21(16)24-4/h6-15H,5H2,1-4H3/b13-11+ |
| InChIKey | HJUOVUZHAHZCLE-ACCUITESSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(CC)C)C(\C=C\C=1C=CC(OC)=CC1OC)=O |