| SpectraBase Compound ID | DxFpCjZHBYc |
|---|---|
| InChI | InChI=1S/C17H14ClFO4/c18-12-5-3-6-13(11-12)22-16(20)9-4-10-17(21)23-15-8-2-1-7-14(15)19/h1-3,5-8,11H,4,9-10H2 |
| InChIKey | ITSVIMTUSGRGPG-UHFFFAOYSA-N |
| Mol Weight | 336.75 g/mol |
| Molecular Formula | C17H14ClFO4 |
| Exact Mass | 336.056465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85XZoAGiPWa |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.056464790 u |
| Formula | C17H14ClFO4 |
| InChI | InChI=1S/C17H14ClFO4/c18-12-5-3-6-13(11-12)22-16(20)9-4-10-17(21)23-15-8-2-1-7-14(15)19/h1-3,5-8,11H,4,9-10H2 |
| InChIKey | ITSVIMTUSGRGPG-UHFFFAOYSA-N |
| Molecular Weight | 336.746 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC1=CC=CC(=C1)Cl)=O |