| SpectraBase Compound ID | CcQiloftdbz |
|---|---|
| InChI | InChI=1S/C12H17F5O4/c1-4-5-6-20-8(18)10(2,3)9(19)21-7-11(13,14)12(15,16)17/h4-7H2,1-3H3 |
| InChIKey | VSTSXMFADCPCLA-UHFFFAOYSA-N |
| Mol Weight | 320.26 g/mol |
| Molecular Formula | C12H17F5O4 |
| Exact Mass | 320.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4eGC3mMddCn |
|---|---|
| Name | Dimethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.104699838 u |
| Formula | C12H17F5O4 |
| InChI | InChI=1S/C12H17F5O4/c1-4-5-6-20-8(18)10(2,3)9(19)21-7-11(13,14)12(15,16)17/h4-7H2,1-3H3 |
| InChIKey | VSTSXMFADCPCLA-UHFFFAOYSA-N |
| Molecular Weight | 320.256 g/mol |
| SMILES | CCCCOC(C(C(=O)OCC(C(F)(F)F)(F)F)(C)C)=O |