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

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl 2-methylphenyl ester
SpectraBase Compound ID LpxptOHx9RV
InChI InChI=1S/C18H15Cl3O4/c1-11-5-2-3-6-15(11)24-16(22)7-4-8-17(23)25-18-13(20)9-12(19)10-14(18)21/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey FLYJSPDECFFSEX-UHFFFAOYSA-N
Mol Weight 401.67 g/mol
Molecular Formula C18H15Cl3O4
Exact Mass 400.003592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNJgUlCAXy5
Name Glutaric acid, 2,4,6-trichlorophenyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.003592059 u
Formula C18H15Cl3O4
InChI InChI=1S/C18H15Cl3O4/c1-11-5-2-3-6-15(11)24-16(22)7-4-8-17(23)25-18-13(20)9-12(19)10-14(18)21/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey FLYJSPDECFFSEX-UHFFFAOYSA-N
Molecular Weight 401.673 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C(C)=CC=CC1)=O