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Glutaric acid, decyl pentachlorophenyl ester

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Glutaric acid, decyl pentachlorophenyl ester
SpectraBase Compound ID KZ5573z2TYD
InChI InChI=1S/C21H27Cl5O4/c1-2-3-4-5-6-7-8-9-13-29-14(27)11-10-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey VRPVTFWUACZCSF-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C21H27Cl5O4
Exact Mass 518.035198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7D6436lZZoU
Name Glutaric acid, decyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.035197845 u
Formula C21H27Cl5O4
InChI InChI=1S/C21H27Cl5O4/c1-2-3-4-5-6-7-8-9-13-29-14(27)11-10-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey VRPVTFWUACZCSF-UHFFFAOYSA-N
Molecular Weight 520.708 g/mol
SMILES CCCCCCCCCCOC(CCCC(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)=O