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Succinic acid, 3-chlorophenyl pentafluorobenzyl ester

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Succinic acid, 3-chlorophenyl pentafluorobenzyl ester
SpectraBase Compound ID 9kcEWQj040v
InChI InChI=1S/C17H10ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-3,6H,4-5,7H2
InChIKey WYUMACPUACBMAF-UHFFFAOYSA-N
Mol Weight 408.71 g/mol
Molecular Formula C17H10ClF5O4
Exact Mass 408.018777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YzMv9BLpvQ
Name Succinic acid, 3-chlorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.018777313 u
Formula C17H10ClF5O4
InChI InChI=1S/C17H10ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-3,6H,4-5,7H2
InChIKey WYUMACPUACBMAF-UHFFFAOYSA-N
Molecular Weight 408.708 g/mol
SMILES C(CC(OC1=CC(=CC=C1)Cl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O