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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenylpropyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenylpropyl ester
SpectraBase Compound ID JigqA9FO72F
InChI InChI=1S/C18H18F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)9-8-13(27)29-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2
InChIKey OYQAONKCYLUOAT-UHFFFAOYSA-N
Mol Weight 450.33 g/mol
Molecular Formula C18H18F8O4
Exact Mass 450.107734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fCZDycaavj
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.107734360 u
Formula C18H18F8O4
InChI InChI=1S/C18H18F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)9-8-13(27)29-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2
InChIKey OYQAONKCYLUOAT-UHFFFAOYSA-N
Molecular Weight 450.325 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCCCC1=CC=CC=C1)=O