| SpectraBase Compound ID | 2aAVhNBod2M |
|---|---|
| InChI | InChI=1S/C17H16O3/c1-12(16(18)13-8-4-3-5-9-13)17(19)14-10-6-7-11-15(14)20-2/h3-12H,1-2H3 |
| InChIKey | DJKNCQCVLBJVBK-UHFFFAOYSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C17H16O3 |
| Exact Mass | 268.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DjMPuDECFx |
|---|---|
| Name | 1-(o-Methoxyphenyl)-2-methyl-3-phenyl-1,3-propanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.109944372 u |
| Formula | C17H16O3 |
| InChI | InChI=1S/C17H16O3/c1-12(16(18)13-8-4-3-5-9-13)17(19)14-10-6-7-11-15(14)20-2/h3-12H,1-2H3 |
| InChIKey | DJKNCQCVLBJVBK-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(C(C=1C=CC=CC1OC)=O)C)=O |