| SpectraBase Compound ID | K5Le0228zM4 |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-12(14-8-6-5-7-9-14)18(19)17-13(2)15(20-3)10-11-16(17)21-4/h5-11H,1H2,2-4H3 |
| InChIKey | YBAMBGIXLKXWSO-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDjAgc9C4SX |
|---|---|
| Name | 1-(3,6-Dimethoxy-2-methylphenyl)-2-phenylprop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-12(14-8-6-5-7-9-14)18(19)17-13(2)15(20-3)10-11-16(17)21-4/h5-11H,1H2,2-4H3 |
| InChIKey | YBAMBGIXLKXWSO-UHFFFAOYSA-N |
| SMILES | C(C=1C(=C(OC)C=CC1OC)C)(C(C1=CC=CC=C1)=C)=O |