| SpectraBase Compound ID | 4kaOZiTSNHK |
|---|---|
| InChI | InChI=1S/C19H13FO3/c20-17-9-8-14-10-16(7-6-15(14)11-17)18(21)12-23-19(22)13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey | MZTJOJMHCPWVRG-UHFFFAOYSA-N |
| Mol Weight | 308.31 g/mol |
| Molecular Formula | C19H13FO3 |
| Exact Mass | 308.084872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFU6Sa6pVU6 |
|---|---|
| Name | 6'-Fluoro-2-hydroxy-2'-acetonaphthone, benzoate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.084872439 u |
| Formula | C19H13FO3 |
| InChI | InChI=1S/C19H13FO3/c20-17-9-8-14-10-16(7-6-15(14)11-17)18(21)12-23-19(22)13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey | MZTJOJMHCPWVRG-UHFFFAOYSA-N |
| Molecular Weight | 308.308 g/mol |
| SMILES | C=12C=CC(=CC1C=CC(=C2)C(COC(C=1C=CC=CC1)=O)=O)F |