| SpectraBase Compound ID | 6JCpturbeUM |
|---|---|
| InChI | InChI=1S/C18H16ClFO4/c19-14-10-8-13(9-11-14)12-23-17(21)6-3-7-18(22)24-16-5-2-1-4-15(16)20/h1-2,4-5,8-11H,3,6-7,12H2 |
| InChIKey | VTEQJDKBCIYALM-UHFFFAOYSA-N |
| Mol Weight | 350.77 g/mol |
| Molecular Formula | C18H16ClFO4 |
| Exact Mass | 350.072115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21XHRQK1jHO |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.072114854 u |
| Formula | C18H16ClFO4 |
| InChI | InChI=1S/C18H16ClFO4/c19-14-10-8-13(9-11-14)12-23-17(21)6-3-7-18(22)24-16-5-2-1-4-15(16)20/h1-2,4-5,8-11H,3,6-7,12H2 |
| InChIKey | VTEQJDKBCIYALM-UHFFFAOYSA-N |
| Molecular Weight | 350.773 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCC1=CC=C(C=C1)Cl)=O |