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

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Glutaric acid, 2,4,6-trichlorophenyl 2-methylpentyl ester
SpectraBase Compound ID 8bda52bRMj5
InChI InChI=1S/C17H21Cl3O4/c1-3-5-11(2)10-23-15(21)6-4-7-16(22)24-17-13(19)8-12(18)9-14(17)20/h8-9,11H,3-7,10H2,1-2H3
InChIKey HXTJRTDNANQODC-UHFFFAOYSA-N
Mol Weight 395.71 g/mol
Molecular Formula C17H21Cl3O4
Exact Mass 394.050542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76iPCv3CeU4
Name Glutaric acid, 2,4,6-trichlorophenyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.050542252 u
Formula C17H21Cl3O4
InChI InChI=1S/C17H21Cl3O4/c1-3-5-11(2)10-23-15(21)6-4-7-16(22)24-17-13(19)8-12(18)9-14(17)20/h8-9,11H,3-7,10H2,1-2H3
InChIKey HXTJRTDNANQODC-UHFFFAOYSA-N
Molecular Weight 395.710 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(CCC)C)=O