| SpectraBase Compound ID | CSYbBhpqt90 |
|---|---|
| InChI | InChI=1S/C13H8ClFO2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H |
| InChIKey | TVCAQXUUFJYBGH-UHFFFAOYSA-N |
| Mol Weight | 250.66 g/mol |
| Molecular Formula | C13H8ClFO2 |
| Exact Mass | 250.019685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rH2hxbkC2s |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.019685359 u |
| Formula | C13H8ClFO2 |
| InChI | InChI=1S/C13H8ClFO2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H |
| InChIKey | TVCAQXUUFJYBGH-UHFFFAOYSA-N |
| Molecular Weight | 250.656 g/mol |
| SMILES | C1(=CC=CC=C1C(OC1=C(C=CC=C1)F)=O)Cl |