| SpectraBase Compound ID | AQ7E2hyGmxp |
|---|---|
| InChI | InChI=1S/C17H21F3O4/c1-2-3-11-23-15(21)5-4-6-16(22)24-12-13-7-9-14(10-8-13)17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | UMFTVQYRFPQJQD-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 | DlEufAvJiRp |
|---|---|
| Name | Glutaric acid, butyl 4-(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)5-4-6-16(22)24-12-13-7-9-14(10-8-13)17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | UMFTVQYRFPQJQD-UHFFFAOYSA-N |
| Molecular Weight | 346.346 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OCCCC)=O |