| SpectraBase Compound ID | LTTRKeWwydN |
|---|---|
| InChI | InChI=1S/C17H14O3/c1-10-3-6-12(7-4-10)17-16(19)15(18)13-9-11(2)5-8-14(13)20-17/h3-9,19H,1-2H3 |
| InChIKey | OUNDHKZAGANSPX-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C17H14O3 |
| Exact Mass | 266.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxyuQ79Amu6 |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 3-hydroxy-6-methyl-2-(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.094294308 u |
| Formula | C17H14O3 |
| InChI | InChI=1S/C17H14O3/c1-10-3-6-12(7-4-10)17-16(19)15(18)13-9-11(2)5-8-14(13)20-17/h3-9,19H,1-2H3 |
| InChIKey | OUNDHKZAGANSPX-UHFFFAOYSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | C12=C(C=CC(=C2)C)OC(=C(C1=O)O)C=1C=CC(=CC1)C |