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

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl ester
SpectraBase Compound ID BH8XiUYo4YY
InChI InChI=1S/C17H16F8O4/c1-9-4-3-5-11(10(9)2)29-13(27)7-6-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-5,14H,6-8H2,1-2H3
InChIKey PXKLQQZUZCPCFN-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 5kDX61hqyow
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl 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/c1-9-4-3-5-11(10(9)2)29-13(27)7-6-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-5,14H,6-8H2,1-2H3
InChIKey PXKLQQZUZCPCFN-UHFFFAOYSA-N
Molecular Weight 436.298 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C(C)=CC=C1)C)=O