| SpectraBase Compound ID | F0B84qj6Wq8 |
|---|---|
| InChI | InChI=1S/C17H21F3O5/c1-2-3-11-23-15(21)5-4-6-16(22)24-12-13-7-9-14(10-8-13)25-17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | DKMDXPOWUILCRO-UHFFFAOYSA-N |
| Mol Weight | 362.35 g/mol |
| Molecular Formula | C17H21F3O5 |
| Exact Mass | 362.134108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iXsaCob0b |
|---|---|
| Name | Glutaric acid, butyl 4-(trifluoromethoxy)benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.134108260 u |
| Formula | C17H21F3O5 |
| InChI | InChI=1S/C17H21F3O5/c1-2-3-11-23-15(21)5-4-6-16(22)24-12-13-7-9-14(10-8-13)25-17(18,19)20/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | DKMDXPOWUILCRO-UHFFFAOYSA-N |
| Molecular Weight | 362.345 g/mol |
| SMILES | C(OCC1=CC=C(OC(F)(F)F)C=C1)(=O)CCCC(OCCCC)=O |