| SpectraBase Compound ID | B3v3cEumuKC |
|---|---|
| InChI | InChI=1S/C13H19F3O4/c1-3-4-5-9-19-11(17)7-6-8-12(18)20-10(2)13(14,15)16/h4-5,10H,3,6-9H2,1-2H3/b5-4+ |
| InChIKey | KKKVVKOMSZVLEC-SNAWJCMRSA-N |
| Mol Weight | 296.29 g/mol |
| Molecular Formula | C13H19F3O4 |
| Exact Mass | 296.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fdOVlXuDmU |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.123543577 u |
| Formula | C13H19F3O4 |
| InChI | InChI=1S/C13H19F3O4/c1-3-4-5-9-19-11(17)7-6-8-12(18)20-10(2)13(14,15)16/h4-5,10H,3,6-9H2,1-2H3/b5-4+ |
| InChIKey | KKKVVKOMSZVLEC-SNAWJCMRSA-N |
| Molecular Weight | 296.286 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OC\C=C\CC)=O |