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Glutaric acid, 8-chlorooctyl 2,4,5-trichlorophenyl ester

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Glutaric acid, 8-chlorooctyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 84RUSydY1H6
InChI InChI=1S/C19H24Cl4O4/c20-10-5-3-1-2-4-6-11-26-18(24)8-7-9-19(25)27-17-13-15(22)14(21)12-16(17)23/h12-13H,1-11H2
InChIKey MCKJRUYQBZZPRZ-UHFFFAOYSA-N
Mol Weight 458.2 g/mol
Molecular Formula C19H24Cl4O4
Exact Mass 456.04287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62vjK7WcFm6
Name Glutaric acid, 8-chlorooctyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.042870049 u
Formula C19H24Cl4O4
InChI InChI=1S/C19H24Cl4O4/c20-10-5-3-1-2-4-6-11-26-18(24)8-7-9-19(25)27-17-13-15(22)14(21)12-16(17)23/h12-13H,1-11H2
InChIKey MCKJRUYQBZZPRZ-UHFFFAOYSA-N
Molecular Weight 458.209 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O