| SpectraBase Compound ID | 2NVIK39elj6 |
|---|---|
| InChI | InChI=1S/C12H5F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h1,3-4H,5H2 |
| InChIKey | YDOVTBUPHCWONQ-UHFFFAOYSA-N |
| Mol Weight | 276.16 g/mol |
| Molecular Formula | C12H5F5O2 |
| Exact Mass | 276.02097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCbhHJGaC8M |
|---|---|
| Name | Pentafluorobenzoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.020970214 u |
| Formula | C12H5F5O2 |
| InChI | InChI=1S/C12H5F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h1,3-4H,5H2 |
| InChIKey | YDOVTBUPHCWONQ-UHFFFAOYSA-N |
| Molecular Weight | 276.162 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(OCC=CC#C)=O)F)F)F |