| SpectraBase Compound ID | 7KIStcWTJjW |
|---|---|
| InChI | InChI=1S/C14H25F3O4/c1-3-5-6-7-8-9-10-11(12(18)21-4-2)13(19,20)14(15,16)17/h11,19-20H,3-10H2,1-2H3 |
| InChIKey | OVXNQEYBIUUTDN-UHFFFAOYSA-N |
| Mol Weight | 314.35 g/mol |
| Molecular Formula | C14H25F3O4 |
| Exact Mass | 314.170494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PIWISuqoIx |
|---|---|
| Name | Ethyl 2-octyltrifluoroacetylacetate, hydrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.170493770 u |
| Formula | C14H25F3O4 |
| InChI | InChI=1S/C14H25F3O4/c1-3-5-6-7-8-9-10-11(12(18)21-4-2)13(19,20)14(15,16)17/h11,19-20H,3-10H2,1-2H3 |
| InChIKey | OVXNQEYBIUUTDN-UHFFFAOYSA-N |
| Molecular Weight | 314.345 g/mol |
| SMILES | OC(C(C(=O)OCC)CCCCCCCC)(C(F)(F)F)O |