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Glutaric acid, tridecyl 2,4,6-trichlorophenyl ester

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Glutaric acid, tridecyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID B72z9fEAUyT
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-30-22(28)14-13-15-23(29)31-24-20(26)17-19(25)18-21(24)27/h17-18H,2-16H2,1H3
InChIKey IDNMFUULPLPSRT-UHFFFAOYSA-N
Mol Weight 493.9 g/mol
Molecular Formula C24H35Cl3O4
Exact Mass 492.160093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jep70laLope
Name Glutaric acid, tridecyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.160092703 u
Formula C24H35Cl3O4
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-30-22(28)14-13-15-23(29)31-24-20(26)17-19(25)18-21(24)27/h17-18H,2-16H2,1H3
InChIKey IDNMFUULPLPSRT-UHFFFAOYSA-N
Molecular Weight 493.899 g/mol
SMILES CCCCCCCCCCCCCOC(CCCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)=O