| SpectraBase Compound ID | 8TXzpPuNbHK |
|---|---|
| InChI | InChI=1S/C13H21F3O4/c1-9(13(14,15)16)20-11(18)7-5-6-10(17)19-8-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChIKey | HSHBFZWBLPTFQT-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 | 12MeIXeWfYd |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl neopentyl 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(13(14,15)16)20-11(18)7-5-6-10(17)19-8-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChIKey | HSHBFZWBLPTFQT-UHFFFAOYSA-N |
| Molecular Weight | 298.302 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCC(C)(C)C)=O |