| SpectraBase Compound ID | 54UJdaTVnyY |
|---|---|
| InChI | InChI=1S/C17H21F3O4/c1-2-3-11-23-15(21)9-6-10-16(22)24-12-13-7-4-5-8-14(13)17(18,19)20/h4-5,7-8H,2-3,6,9-12H2,1H3 |
| InChIKey | FRXFZEPJMZUHAW-UHFFFAOYSA-N |
| Mol Weight | 346.35 g/mol |
| Molecular Formula | C17H21F3O4 |
| Exact Mass | 346.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CfiprpfZ6A |
|---|---|
| Name | Glutaric acid, butyl 2-(trifluoromethyl)benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.139193641 u |
| Formula | C17H21F3O4 |
| InChI | InChI=1S/C17H21F3O4/c1-2-3-11-23-15(21)9-6-10-16(22)24-12-13-7-4-5-8-14(13)17(18,19)20/h4-5,7-8H,2-3,6,9-12H2,1H3 |
| InChIKey | FRXFZEPJMZUHAW-UHFFFAOYSA-N |
| Molecular Weight | 346.346 g/mol |
| SMILES | C(OCC1=CC=CC=C1C(F)(F)F)(=O)CCCC(OCCCC)=O |