| SpectraBase Compound ID | Lr8tPLBOVh |
|---|---|
| InChI | InChI=1S/C14H11F7O4/c1-2-24-10(22)8-5-3-4-6-9(8)11(23)25-7-12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3 |
| InChIKey | BMPYKXPUMQKILK-UHFFFAOYSA-N |
| Mol Weight | 376.23 g/mol |
| Molecular Formula | C14H11F7O4 |
| Exact Mass | 376.054556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58n4Gm6xMmI |
|---|---|
| Name | Phthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.054555971 u |
| Formula | C14H11F7O4 |
| InChI | InChI=1S/C14H11F7O4/c1-2-24-10(22)8-5-3-4-6-9(8)11(23)25-7-12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3 |
| InChIKey | BMPYKXPUMQKILK-UHFFFAOYSA-N |
| Molecular Weight | 376.227 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O |