| SpectraBase Compound ID | 4XPMCNlElT |
|---|---|
| InChI | InChI=1S/C20H28ClFO4/c1-2-3-4-5-6-7-14-25-19(23)12-9-13-20(24)26-15-16-17(21)10-8-11-18(16)22/h8,10-11H,2-7,9,12-15H2,1H3 |
| InChIKey | ZUVLJTHFIRCHQJ-UHFFFAOYSA-N |
| Mol Weight | 386.89 g/mol |
| Molecular Formula | C20H28ClFO4 |
| Exact Mass | 386.166015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LNLtHA42FNg |
|---|---|
| Name | Glutaric acid, 2-chloro-6-fluorobenzyl octyl 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/c1-2-3-4-5-6-7-14-25-19(23)12-9-13-20(24)26-15-16-17(21)10-8-11-18(16)22/h8,10-11H,2-7,9,12-15H2,1H3 |
| InChIKey | ZUVLJTHFIRCHQJ-UHFFFAOYSA-N |
| Molecular Weight | 386.891 g/mol |
| SMILES | C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCC |