| SpectraBase Compound ID | DwX0zLqdTwo |
|---|---|
| InChI | InChI=1S/C17H21F3O4/c1-12(2)10-23-15(21)4-3-5-16(22)24-11-13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,3-5,10-11H2,1-2H3 |
| InChIKey | WISDHGZRSQMLAJ-UHFFFAOYSA-N |
| Mol Weight | 346.35 g/mol |
| Molecular Formula | C17H21F3O4 |
| Exact Mass | 346.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HmPkcTp4nXE |
|---|---|
| Name | Glutaric acid, isobutyl 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/c1-12(2)10-23-15(21)4-3-5-16(22)24-11-13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,3-5,10-11H2,1-2H3 |
| InChIKey | WISDHGZRSQMLAJ-UHFFFAOYSA-N |
| Molecular Weight | 346.346 g/mol |
| SMILES | C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OCC(C)C)=O |