| SpectraBase Compound ID | 3ZPRYnIHwGV |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)19-16(14)18/h2-9,17H,1H3 |
| InChIKey | VFOIMQUAPALECW-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbgieJ1YqXr |
|---|---|
| Name | 4-Hydroxy-3-(p-tolyl)-1-benzopyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)19-16(14)18/h2-9,17H,1H3 |
| InChIKey | VFOIMQUAPALECW-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C1(=C(C2=CC=CC=C2OC1=O)O)C1=CC=C(C=C1)C |