| SpectraBase Compound ID | FfU2fsYUODF |
|---|---|
| InChI | InChI=1S/C16H12ClFO4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2 |
| InChIKey | IFBLMKGLSBBYNM-UHFFFAOYSA-N |
| Mol Weight | 322.72 g/mol |
| Molecular Formula | C16H12ClFO4 |
| Exact Mass | 322.040815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWbPx36XfSb |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.040814725 u |
| Formula | C16H12ClFO4 |
| InChI | InChI=1S/C16H12ClFO4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2 |
| InChIKey | IFBLMKGLSBBYNM-UHFFFAOYSA-N |
| Molecular Weight | 322.719 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC1=CC=CC(=C1)F)=O |