| SpectraBase Compound ID | 97Jz7sb2kHp |
|---|---|
| InChI | InChI=1S/C20H28ClFO4/c1-2-3-4-5-6-7-8-14-25-19(23)12-13-20(24)26-15-16-17(21)10-9-11-18(16)22/h9-11H,2-8,12-15H2,1H3 |
| InChIKey | QQQTWQMGIGQCKT-UHFFFAOYSA-N |
| Mol Weight | 386.89 g/mol |
| Molecular Formula | C20H28ClFO4 |
| Exact Mass | 386.166015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3gAjTTdcBf |
|---|---|
| Name | Succinic acid, 2-chloro-6-fluorobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.166015241 u |
| Formula | C20H28ClFO4 |
| InChI | InChI=1S/C20H28ClFO4/c1-2-3-4-5-6-7-8-14-25-19(23)12-13-20(24)26-15-16-17(21)10-9-11-18(16)22/h9-11H,2-8,12-15H2,1H3 |
| InChIKey | QQQTWQMGIGQCKT-UHFFFAOYSA-N |
| Molecular Weight | 386.891 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCCCCCCCCC)=O)F |