SpectraBase Compound ID | 3NcRa0cnx4h |
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InChI | InChI=1S/C13H20F4O4/c1-4-5-6-7-20-10(18)12(2,3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3 |
InChIKey | BFTDUTPJQMPLME-UHFFFAOYSA-N |
Mol Weight | 316.29 g/mol |
Molecular Formula | C13H20F4O4 |
Exact Mass | 316.129772 g/mol |
SpectraBase Spectrum ID | HlZxSQ0Zn1Q |
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Name | Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 316.129771772 u |
Formula | C13H20F4O4 |
InChI | InChI=1S/C13H20F4O4/c1-4-5-6-7-20-10(18)12(2,3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3 |
InChIKey | BFTDUTPJQMPLME-UHFFFAOYSA-N |
Molecular Weight | 316.293 g/mol |
SMILES | CCCCCOC(C(C(=O)OCC(C(F)F)(F)F)(C)C)=O |