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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl hex-4-yn-3-yl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl hex-4-yn-3-yl ester
SpectraBase Compound ID 27HCrvLypBD
InChI InChI=1S/C16H18F8O4/c1-3-6-10(4-2)28-12(26)8-5-7-11(25)27-9-14(19,20)16(23,24)15(21,22)13(17)18/h10,13H,4-5,7-9H2,1-2H3
InChIKey NNVKMOXZPMEGOK-UHFFFAOYSA-N
Mol Weight 426.3 g/mol
Molecular Formula C16H18F8O4
Exact Mass 426.107734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IELMPWYwLoo
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl hex-4-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.107734360 u
Formula C16H18F8O4
InChI InChI=1S/C16H18F8O4/c1-3-6-10(4-2)28-12(26)8-5-7-11(25)27-9-14(19,20)16(23,24)15(21,22)13(17)18/h10,13H,4-5,7-9H2,1-2H3
InChIKey NNVKMOXZPMEGOK-UHFFFAOYSA-N
Molecular Weight 426.303 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC)C#CC)=O