| SpectraBase Compound ID | Czmg4KZqYJ1 |
|---|---|
| InChI | InChI=1S/C15H11F5O4/c1-3-7(2)23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h1,7H,4-6H2,2H3 |
| InChIKey | ZXPFAMLOLISZBC-UHFFFAOYSA-N |
| Mol Weight | 350.24 g/mol |
| Molecular Formula | C15H11F5O4 |
| Exact Mass | 350.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JzfRPIM0O0 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.057749645 u |
| Formula | C15H11F5O4 |
| InChI | InChI=1S/C15H11F5O4/c1-3-7(2)23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h1,7H,4-6H2,2H3 |
| InChIKey | ZXPFAMLOLISZBC-UHFFFAOYSA-N |
| Molecular Weight | 350.241 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |