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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID BN0UFTQ3d4g
InChI InChI=1S/C16H11Cl3F8O4/c17-7-4-9(19)10(5-8(7)18)31-12(29)3-1-2-11(28)30-6-14(22,23)16(26,27)15(24,25)13(20)21/h4-5,13H,1-3,6H2
InChIKey VUCXUOHDJKRMSY-UHFFFAOYSA-N
Mol Weight 525.61 g/mol
Molecular Formula C16H11Cl3F8O4
Exact Mass 523.959517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AX0WYuf7UUY
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.959517234 u
Formula C16H11Cl3F8O4
InChI InChI=1S/C16H11Cl3F8O4/c17-7-4-9(19)10(5-8(7)18)31-12(29)3-1-2-11(28)30-6-14(22,23)16(26,27)15(24,25)13(20)21/h4-5,13H,1-3,6H2
InChIKey VUCXUOHDJKRMSY-UHFFFAOYSA-N
Molecular Weight 525.606 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O