| SpectraBase Compound ID | 9WHHQ1n8PVG |
|---|---|
| InChI | InChI=1S/C21H17FO4/c22-17-10-3-4-11-19(17)26-21(24)14-6-13-20(23)25-18-12-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2 |
| InChIKey | BMCJBOVHUOYDDL-UHFFFAOYSA-N |
| Mol Weight | 352.36 g/mol |
| Molecular Formula | C21H17FO4 |
| Exact Mass | 352.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oyUKzlwEux |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 1-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.111087186 u |
| Formula | C21H17FO4 |
| InChI | InChI=1S/C21H17FO4/c22-17-10-3-4-11-19(17)26-21(24)14-6-13-20(23)25-18-12-5-8-15-7-1-2-9-16(15)18/h1-5,7-12H,6,13-14H2 |
| InChIKey | BMCJBOVHUOYDDL-UHFFFAOYSA-N |
| Molecular Weight | 352.361 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O |