| SpectraBase Compound ID | 668na04v1TR |
|---|---|
| InChI | InChI=1S/C17H22ClFO4/c1-2-3-4-5-11-22-16(20)9-10-17(21)23-12-13-14(18)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3 |
| InChIKey | JJUGVGLWXXLEAX-UHFFFAOYSA-N |
| Mol Weight | 344.81 g/mol |
| Molecular Formula | C17H22ClFO4 |
| Exact Mass | 344.119065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hu5fuCScaQo |
|---|---|
| Name | Succinic acid, 2-chloro-6-fluorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.119065047 u |
| Formula | C17H22ClFO4 |
| InChI | InChI=1S/C17H22ClFO4/c1-2-3-4-5-11-22-16(20)9-10-17(21)23-12-13-14(18)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3 |
| InChIKey | JJUGVGLWXXLEAX-UHFFFAOYSA-N |
| Molecular Weight | 344.810 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCCCCCC)=O)F |