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Glutaric acid, 3-methylbut-2-yl pentachlorophenyl ester

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Glutaric acid, 3-methylbut-2-yl pentachlorophenyl ester
SpectraBase Compound ID HrPGqaitLqs
InChI InChI=1S/C16H17Cl5O4/c1-7(2)8(3)24-9(22)5-4-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h7-8H,4-6H2,1-3H3
InChIKey ZBEULXFXZZIODS-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C16H17Cl5O4
Exact Mass 447.956948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHoRtfMuoDg
Name Glutaric acid, 3-methylbut-2-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.956947523 u
Formula C16H17Cl5O4
InChI InChI=1S/C16H17Cl5O4/c1-7(2)8(3)24-9(22)5-4-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h7-8H,4-6H2,1-3H3
InChIKey ZBEULXFXZZIODS-UHFFFAOYSA-N
Molecular Weight 450.573 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O