| SpectraBase Compound ID | JmdEAPFVMHB |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-9(15)14-10(2)17-13(16)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | SWGZCBKNKVAGTF-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xcXi48DgHa |
|---|---|
| Name | 5-Acetyl-6-methyl-4-phenyl-2H-pyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-9(15)14-10(2)17-13(16)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | SWGZCBKNKVAGTF-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C=1(C(=CC(OC1C)=O)C=1C=CC=CC1)C(=O)C |