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

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Glutaric acid, 2,3-dichlorophenyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID GqpF3PCrDdm
InChI InChI=1S/C17H11Cl5O4/c18-9-3-1-4-13(17(9)22)25-15(23)5-2-6-16(24)26-14-8-11(20)10(19)7-12(14)21/h1,3-4,7-8H,2,5-6H2
InChIKey IGSBBTZEVWLIOR-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C17H11Cl5O4
Exact Mass 453.909997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mQcOLuDERY
Name Glutaric acid, 2,3-dichlorophenyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.909997330 u
Formula C17H11Cl5O4
InChI InChI=1S/C17H11Cl5O4/c18-9-3-1-4-13(17(9)22)25-15(23)5-2-6-16(24)26-14-8-11(20)10(19)7-12(14)21/h1,3-4,7-8H,2,5-6H2
InChIKey IGSBBTZEVWLIOR-UHFFFAOYSA-N
Molecular Weight 456.536 g/mol
SMILES C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O