| SpectraBase Compound ID | 2dVWpJ0FwPI |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-2-5-10-8-9-13-14(15(10)17)16(18)11-6-3-4-7-12(11)19-13/h2-4,6-9,17H,1,5H2 |
| InChIKey | LEVHGUUTZGLBHE-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 | AKpsBq0iGe3 |
|---|---|
| Name | 2-Allyl-1-hydroxyxanthen-9-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/c1-2-5-10-8-9-13-14(15(10)17)16(18)11-6-3-4-7-12(11)19-13/h2-4,6-9,17H,1,5H2 |
| InChIKey | LEVHGUUTZGLBHE-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | OC1=C(CC=C)C=CC2=C1C(C=1C=CC=CC1O2)=O |