| SpectraBase Compound ID | LRVnoSRwwLk |
|---|---|
| InChI | InChI=1S/C13H21F3O4/c1-9(2)7-8-19-11(17)5-4-6-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3 |
| InChIKey | QIEVGBQSEDRTBQ-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C13H21F3O4 |
| Exact Mass | 298.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7IwDz9D2NU |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.139193641 u |
| Formula | C13H21F3O4 |
| InChI | InChI=1S/C13H21F3O4/c1-9(2)7-8-19-11(17)5-4-6-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3 |
| InChIKey | QIEVGBQSEDRTBQ-UHFFFAOYSA-N |
| Molecular Weight | 298.302 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCC(C)C)=O |