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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester
SpectraBase Compound ID 4MRUn4CAP40
InChI InChI=1S/C17H16F8O4/c1-10-4-2-5-11(8-10)29-13(27)7-3-6-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKey ZVNRBOOXZIZLTQ-UHFFFAOYSA-N
Mol Weight 436.3 g/mol
Molecular Formula C17H16F8O4
Exact Mass 436.092084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80bnIsOJaZ1
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.092084295 u
Formula C17H16F8O4
InChI InChI=1S/C17H16F8O4/c1-10-4-2-5-11(8-10)29-13(27)7-3-6-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKey ZVNRBOOXZIZLTQ-UHFFFAOYSA-N
Molecular Weight 436.298 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C=CC=C(C)C1)=O