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Glutaric acid, hepta-1,6-dien-4-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Glutaric acid, hepta-1,6-dien-4-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID FukFSoztKyo
InChI InChI=1S/C17H20F8O4/c1-3-6-11(7-4-2)29-13(27)9-5-8-12(26)28-10-15(20,21)17(24,25)16(22,23)14(18)19/h3-4,11,14H,1-2,5-10H2
InChIKey KTOQVTJPMWQGKY-UHFFFAOYSA-N
Mol Weight 440.33 g/mol
Molecular Formula C17H20F8O4
Exact Mass 440.123384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AL4XzfGyYT9
Name Glutaric acid, hepta-1,6-dien-4-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.123384424 u
Formula C17H20F8O4
InChI InChI=1S/C17H20F8O4/c1-3-6-11(7-4-2)29-13(27)9-5-8-12(26)28-10-15(20,21)17(24,25)16(22,23)14(18)19/h3-4,11,14H,1-2,5-10H2
InChIKey KTOQVTJPMWQGKY-UHFFFAOYSA-N
Molecular Weight 440.330 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC=C)CC=C)=O