![1-(3-Methylphenyl)-3-[2-(1-hydroxy-4-methylphenyl)]propane-1,3-dione](/api/spectrum/G2zSHZio3Ud/structure.png?h=300&w=458 "1-(3-Methylphenyl)-3-[2-(1-hydroxy-4-methylphenyl)]propane-1,3-dione")
| SpectraBase Compound ID | 509SGxvYVTV |
|---|---|
| InChI | InChI=1S/C17H16O3/c1-11-4-3-5-13(8-11)16(19)10-17(20)14-9-12(2)6-7-15(14)18/h3-9,18H,10H2,1-2H3 |
| InChIKey | OOIMPQUJERWQAD-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 | G2zSHZio3Ud |
|---|---|
| Name | 1-(3-Methylphenyl)-3-[2-(1-hydroxy-4-methylphenyl)]propane-1,3-dione |
| 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/c1-11-4-3-5-13(8-11)16(19)10-17(20)14-9-12(2)6-7-15(14)18/h3-9,18H,10H2,1-2H3 |
| InChIKey | OOIMPQUJERWQAD-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C1(C(CC(C=2C=C(C)C=CC2)=O)=O)=C(C=CC(=C1)C)O |