| SpectraBase Compound ID | DGEM9ibLiBN |
|---|---|
| InChI | InChI=1S/C20H16O3/c1-14-7-8-17-12-18(10-9-16(17)11-14)19(21)13-23-20(22)15-5-3-2-4-6-15/h2-12H,13H2,1H3 |
| InChIKey | RZRFTHYEBSFGCC-UHFFFAOYSA-N |
| Mol Weight | 304.35 g/mol |
| Molecular Formula | C20H16O3 |
| Exact Mass | 304.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaR9Mc4WUr7 |
|---|---|
| Name | 2-Hydroxy-6'-methyl-2'-acetonaphthone, benzoate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.109944372 u |
| Formula | C20H16O3 |
| InChI | InChI=1S/C20H16O3/c1-14-7-8-17-12-18(10-9-16(17)11-14)19(21)13-23-20(22)15-5-3-2-4-6-15/h2-12H,13H2,1H3 |
| InChIKey | RZRFTHYEBSFGCC-UHFFFAOYSA-N |
| SMILES | C=12C=CC(=CC1C=CC(=C2)C(COC(C=1C=CC=CC1)=O)=O)C |