| SpectraBase Compound ID | 8wqzVlWrFDs |
|---|---|
| InChI | InChI=1S/C18H30ClF3O4/c1-15(18(20,21)22)26-17(24)12-10-11-16(23)25-14-9-7-5-3-2-4-6-8-13-19/h15H,2-14H2,1H3 |
| InChIKey | WPKKENRNGBUKIU-UHFFFAOYSA-N |
| Mol Weight | 402.88 g/mol |
| Molecular Formula | C18H30ClF3O4 |
| Exact Mass | 402.178472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoDzkwCRSLL |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.178471631 u |
| Formula | C18H30ClF3O4 |
| InChI | InChI=1S/C18H30ClF3O4/c1-15(18(20,21)22)26-17(24)12-10-11-16(23)25-14-9-7-5-3-2-4-6-8-13-19/h15H,2-14H2,1H3 |
| InChIKey | WPKKENRNGBUKIU-UHFFFAOYSA-N |
| Molecular Weight | 402.882 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OC(C)C(F)(F)F)=O |