| SpectraBase Compound ID | 3Z1akfI3TPg |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-2-21-13(19)4-3-5-14(20)22-10-11-6-8-12(9-7-11)15(16,17)18/h6-9H,2-5,10H2,1H3 |
| InChIKey | TZUBCNITOKPPEG-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4FAEYuUuJQ |
|---|---|
| Name | Glutaric acid, ethyl 4-(trifluoromethyl)benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-2-21-13(19)4-3-5-14(20)22-10-11-6-8-12(9-7-11)15(16,17)18/h6-9H,2-5,10H2,1H3 |
| InChIKey | TZUBCNITOKPPEG-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OCC)=O |