| SpectraBase Compound ID | KMtPzHB2Y6E |
|---|---|
| InChI | InChI=1S/C18H24F2O4/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-9-10-15(19)16(20)12-14/h9-10,12H,2-8,11,13H2,1H3 |
| InChIKey | WZVMIAJZFLZNOT-UHFFFAOYSA-N |
| Mol Weight | 342.38 g/mol |
| Molecular Formula | C18H24F2O4 |
| Exact Mass | 342.164266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lR7BPTWW3x |
|---|---|
| Name | Glutaric acid, 3,4-difluorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.164265575 u |
| Formula | C18H24F2O4 |
| InChI | InChI=1S/C18H24F2O4/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-9-10-15(19)16(20)12-14/h9-10,12H,2-8,11,13H2,1H3 |
| InChIKey | WZVMIAJZFLZNOT-UHFFFAOYSA-N |
| Molecular Weight | 342.383 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)F)F)(=O)CCCC(OCCCCCC)=O |