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Glutaric acid, butyl pentachlorophenyl ester
SpectraBase Compound ID DdBzpGYwPwo
InChI InChI=1S/C15H15Cl5O4/c1-2-3-7-23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3
InChIKey ZBYQIWFGPZQMHF-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C15H15Cl5O4
Exact Mass 433.941297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73drBliUXNp
Name Glutaric acid, butyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.941297459 u
Formula C15H15Cl5O4
InChI InChI=1S/C15H15Cl5O4/c1-2-3-7-23-8(21)5-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3
InChIKey ZBYQIWFGPZQMHF-UHFFFAOYSA-N
Molecular Weight 436.546 g/mol
SMILES CCCCOC(CCCC(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)=O