| SpectraBase Compound ID | K9qeU2aiS7Y |
|---|---|
| InChI | InChI=1S/C19H14O4/c20-16(12-6-2-1-3-7-12)11-10-15-17(21)13-8-4-5-9-14(13)18(22)19(15)23/h1-9,23H,10-11H2 |
| InChIKey | WIUQKOHOTLRZDA-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C19H14O4 |
| Exact Mass | 306.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9o42GvNvmAs |
|---|---|
| Name | 2-Hydroxy-3-(3-oxo-3-phenylpropyl)-1,4-naphthalenedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.089208927 u |
| Formula | C19H14O4 |
| InChI | InChI=1S/C19H14O4/c20-16(12-6-2-1-3-7-12)11-10-15-17(21)13-8-4-5-9-14(13)18(22)19(15)23/h1-9,23H,10-11H2 |
| InChIKey | WIUQKOHOTLRZDA-UHFFFAOYSA-N |
| Molecular Weight | 306.317 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)O)CCC(=O)C=1C=CC=CC1 |