| SpectraBase Compound ID | PbQtNRvRam |
|---|---|
| InChI | InChI=1S/C18H23F3O4/c1-2-3-6-12-24-16(22)10-7-11-17(23)25-13-14-8-4-5-9-15(14)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3 |
| InChIKey | YSXCPCJXJKKYLD-UHFFFAOYSA-N |
| Mol Weight | 360.37 g/mol |
| Molecular Formula | C18H23F3O4 |
| Exact Mass | 360.154844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MAcZ9vQ0SQ |
|---|---|
| Name | Glutaric acid, pentyl 2-(trifluoromethyl)benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.154843706 u |
| Formula | C18H23F3O4 |
| InChI | InChI=1S/C18H23F3O4/c1-2-3-6-12-24-16(22)10-7-11-17(23)25-13-14-8-4-5-9-15(14)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3 |
| InChIKey | YSXCPCJXJKKYLD-UHFFFAOYSA-N |
| Molecular Weight | 360.373 g/mol |
| SMILES | C(OCC1=CC=CC=C1C(F)(F)F)(=O)CCCC(OCCCCC)=O |