| SpectraBase Compound ID | AAQ6PC49drR |
|---|---|
| InChI | InChI=1S/C14H18F4O4/c1-3-6-10(4-2)22-12(20)8-5-7-11(19)21-9-14(17,18)13(15)16/h10,13H,4-5,7-9H2,1-2H3 |
| InChIKey | YKFVOYHGOPULPL-UHFFFAOYSA-N |
| Mol Weight | 326.29 g/mol |
| Molecular Formula | C14H18F4O4 |
| Exact Mass | 326.114122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gdit4hpOw2X |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.114121708 u |
| Formula | C14H18F4O4 |
| InChI | InChI=1S/C14H18F4O4/c1-3-6-10(4-2)22-12(20)8-5-7-11(19)21-9-14(17,18)13(15)16/h10,13H,4-5,7-9H2,1-2H3 |
| InChIKey | YKFVOYHGOPULPL-UHFFFAOYSA-N |
| Molecular Weight | 326.288 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OC(CC)C#CC)=O |