| SpectraBase Compound ID | GZXgiY3Iake |
|---|---|
| InChI | InChI=1S/C14H17F5O4/c1-3-6-10(4-2)23-12(21)8-5-7-11(20)22-9-13(15,16)14(17,18)19/h10H,4-5,7-9H2,1-2H3 |
| InChIKey | YSQMZFOHFCXFCP-UHFFFAOYSA-N |
| Mol Weight | 344.28 g/mol |
| Molecular Formula | C14H17F5O4 |
| Exact Mass | 344.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmkRvHhkgUW |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.104699838 u |
| Formula | C14H17F5O4 |
| InChI | InChI=1S/C14H17F5O4/c1-3-6-10(4-2)23-12(21)8-5-7-11(20)22-9-13(15,16)14(17,18)19/h10H,4-5,7-9H2,1-2H3 |
| InChIKey | YSQMZFOHFCXFCP-UHFFFAOYSA-N |
| Molecular Weight | 344.278 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCC(C(F)(F)F)(F)F)=O |