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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chlorophenyl ester
SpectraBase Compound ID L1EhKrY5VYa
InChI InChI=1S/C16H13ClF8O4/c17-9-4-1-2-5-10(9)29-12(27)7-3-6-11(26)28-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-2,4-5,13H,3,6-8H2
InChIKey KDTDOFDXCMQQSQ-UHFFFAOYSA-N
Mol Weight 456.72 g/mol
Molecular Formula C16H13ClF8O4
Exact Mass 456.037462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yKuFW1QGjJ
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.037461899 u
Formula C16H13ClF8O4
InChI InChI=1S/C16H13ClF8O4/c17-9-4-1-2-5-10(9)29-12(27)7-3-6-11(26)28-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-2,4-5,13H,3,6-8H2
InChIKey KDTDOFDXCMQQSQ-UHFFFAOYSA-N
Molecular Weight 456.716 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C(=CC=CC1)Cl)=O