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Glutaric acid, 2-ethylhexyl pentachlorophenyl ester

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Glutaric acid, 2-ethylhexyl pentachlorophenyl ester
SpectraBase Compound ID CyFHMRZpIBz
InChI InChI=1S/C19H23Cl5O4/c1-3-5-7-11(4-2)10-27-12(25)8-6-9-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h11H,3-10H2,1-2H3
InChIKey MDKLBERKFZQGIQ-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C19H23Cl5O4
Exact Mass 490.003898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PeDG4p0wAJ
Name Glutaric acid, 2-ethylhexyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.003897717 u
Formula C19H23Cl5O4
InChI InChI=1S/C19H23Cl5O4/c1-3-5-7-11(4-2)10-27-12(25)8-6-9-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h11H,3-10H2,1-2H3
InChIKey MDKLBERKFZQGIQ-UHFFFAOYSA-N
Molecular Weight 492.654 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O