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Glutaric acid, 8-chlorooctyl 2,3,5-trichlorophenyl ester

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Glutaric acid, 8-chlorooctyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID D2ixDScUjNp
InChI InChI=1S/C19H24Cl4O4/c20-10-5-3-1-2-4-6-11-26-17(24)8-7-9-18(25)27-16-13-14(21)12-15(22)19(16)23/h12-13H,1-11H2
InChIKey ORABGIIPRRXPQI-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 8qWvJUTqt7c
Name Glutaric acid, 8-chlorooctyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.042870049 u
Formula C19H24Cl4O4
InChI InChI=1S/C19H24Cl4O4/c20-10-5-3-1-2-4-6-11-26-17(24)8-7-9-18(25)27-16-13-14(21)12-15(22)19(16)23/h12-13H,1-11H2
InChIKey ORABGIIPRRXPQI-UHFFFAOYSA-N
Molecular Weight 458.209 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O