| SpectraBase Compound ID | 3C9Ui1zNxel |
|---|---|
| InChI | InChI=1S/C9H14F2O4/c1-3-14-8(13)9(10,11)5-4-6-15-7(2)12/h3-6H2,1-2H3 |
| InChIKey | SSTMXBSESQROBK-UHFFFAOYSA-N |
| Mol Weight | 224.2 g/mol |
| Molecular Formula | C9H14F2O4 |
| Exact Mass | 224.086015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCMD8NBDuhX |
|---|---|
| Name | Ch3Co2Ch2Ch2Ch2Cf2Co2Et |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.086015253 u |
| Formula | C9H14F2O4 |
| InChI | InChI=1S/C9H14F2O4/c1-3-14-8(13)9(10,11)5-4-6-15-7(2)12/h3-6H2,1-2H3 |
| InChIKey | SSTMXBSESQROBK-UHFFFAOYSA-N |
| Molecular Weight | 224.204 g/mol |
| SMILES | C(=O)(C)OCCCC(F)(F)C(=O)OCC |