| SpectraBase Compound ID | 7p11Em0U2cb |
|---|---|
| InChI | InChI=1S/C11H7F7O2/c1-6-3-2-4-7(5-6)20-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3 |
| InChIKey | NTTFSSUNLZOBKZ-UHFFFAOYSA-N |
| Mol Weight | 304.16 g/mol |
| Molecular Formula | C11H7F7O2 |
| Exact Mass | 304.033427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl0cQ3FL8gj |
|---|---|
| Name | Heptafluorobutyric acid, 3-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.033426604 u |
| Formula | C11H7F7O2 |
| InChI | InChI=1S/C11H7F7O2/c1-6-3-2-4-7(5-6)20-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3 |
| InChIKey | NTTFSSUNLZOBKZ-UHFFFAOYSA-N |
| Molecular Weight | 304.164 g/mol |
| SMILES | C(C(C(C(OC=1C=CC=C(C)C1)=O)(F)F)(F)F)(F)(F)F |