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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl trans-hex-3-enyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl trans-hex-3-enyl ester
SpectraBase Compound ID GwuahWU0JMA
InChI InChI=1S/C16H20F8O4/c1-2-3-4-5-9-27-11(25)7-6-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h3-4,13H,2,5-10H2,1H3/b4-3+
InChIKey BUZFIMIZKLPIRZ-ONEGZZNKSA-N
Mol Weight 428.32 g/mol
Molecular Formula C16H20F8O4
Exact Mass 428.123384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4713y9RBnKh
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.123384424 u
Formula C16H20F8O4
InChI InChI=1S/C16H20F8O4/c1-2-3-4-5-9-27-11(25)7-6-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h3-4,13H,2,5-10H2,1H3/b4-3+
InChIKey BUZFIMIZKLPIRZ-ONEGZZNKSA-N
Molecular Weight 428.319 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC\C=C\CC)=O