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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester
SpectraBase Compound ID Bt5Pwwq0aug
InChI InChI=1S/C19H20F8O4/c1-2-13(12-7-4-3-5-8-12)31-15(29)10-6-9-14(28)30-11-17(22,23)19(26,27)18(24,25)16(20)21/h3-5,7-8,13,16H,2,6,9-11H2,1H3
InChIKey WIDUQDKLWUVRTH-UHFFFAOYSA-N
Mol Weight 464.35 g/mol
Molecular Formula C19H20F8O4
Exact Mass 464.123384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nzcrFiwSpF
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.123384424 u
Formula C19H20F8O4
InChI InChI=1S/C19H20F8O4/c1-2-13(12-7-4-3-5-8-12)31-15(29)10-6-9-14(28)30-11-17(22,23)19(26,27)18(24,25)16(20)21/h3-5,7-8,13,16H,2,6,9-11H2,1H3
InChIKey WIDUQDKLWUVRTH-UHFFFAOYSA-N
Molecular Weight 464.352 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC)C1=CC=CC=C1)=O