| SpectraBase Compound ID | 2w5IvP8E6ro |
|---|---|
| InChI | InChI=1S/C16H16O3/c17-13-9-10-14(16(19)11-13)15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,17,19H,4,7-8H2 |
| InChIKey | PJWJGLYLKAYDEO-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vH1eAOjrS0 |
|---|---|
| Name | 2,4-Dihydroxyphenyl-3-phenylpropyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c17-13-9-10-14(16(19)11-13)15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,17,19H,4,7-8H2 |
| InChIKey | PJWJGLYLKAYDEO-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C1(=CC=C(C=C1O)O)C(CCCC1=CC=CC=C1)=O |