| SpectraBase Compound ID | 9q6vafVPGyq |
|---|---|
| InChI | InChI=1S/C18H24ClFO4/c1-2-3-4-5-12-23-17(21)10-7-11-18(22)24-13-14-15(19)8-6-9-16(14)20/h6,8-9H,2-5,7,10-13H2,1H3 |
| InChIKey | XFZHSZWDLDOYOF-UHFFFAOYSA-N |
| Mol Weight | 358.84 g/mol |
| Molecular Formula | C18H24ClFO4 |
| Exact Mass | 358.134715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kgzrzl1P3Xb |
|---|---|
| Name | Glutaric 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 | 358.134715112 u |
| Formula | C18H24ClFO4 |
| InChI | InChI=1S/C18H24ClFO4/c1-2-3-4-5-12-23-17(21)10-7-11-18(22)24-13-14-15(19)8-6-9-16(14)20/h6,8-9H,2-5,7,10-13H2,1H3 |
| InChIKey | XFZHSZWDLDOYOF-UHFFFAOYSA-N |
| Molecular Weight | 358.837 g/mol |
| SMILES | C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCC |