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Glutaric acid, 3-chlorophenyl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl pentachlorophenyl ester
SpectraBase Compound ID 57vfptNQY5Q
InChI InChI=1S/C17H10Cl6O4/c18-8-3-1-4-9(7-8)26-10(24)5-2-6-11(25)27-17-15(22)13(20)12(19)14(21)16(17)23/h1,3-4,7H,2,5-6H2
InChIKey RNBOOLGOJXKFJF-UHFFFAOYSA-N
Mol Weight 491.0 g/mol
Molecular Formula C17H10Cl6O4
Exact Mass 487.871025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9jVGFBrHIk
Name Glutaric acid, 3-chlorophenyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.871024998 u
Formula C17H10Cl6O4
InChI InChI=1S/C17H10Cl6O4/c18-8-3-1-4-9(7-8)26-10(24)5-2-6-11(25)27-17-15(22)13(20)12(19)14(21)16(17)23/h1,3-4,7H,2,5-6H2
InChIKey RNBOOLGOJXKFJF-UHFFFAOYSA-N
Molecular Weight 490.981 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O