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Phthalic acid, 3,4-dichlorophenyl 6-ethyloct-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl 6-ethyloct-3-yl ester
SpectraBase Compound ID 9CI4PGrPtLW
InChI InChI=1S/C24H28Cl2O4/c1-4-16(5-2)11-12-17(6-3)29-23(27)19-9-7-8-10-20(19)24(28)30-18-13-14-21(25)22(26)15-18/h7-10,13-17H,4-6,11-12H2,1-3H3
InChIKey BFLMQGWPILHOQV-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C24H28Cl2O4
Exact Mass 450.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7m7xhktFdE
Name Phthalic acid, 3,4-dichlorophenyl 6-ethyloct-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-4-16(5-2)11-12-17(6-3)29-23(27)19-9-7-8-10-20(19)24(28)30-18-13-14-21(25)22(26)15-18/h7-10,13-17H,4-6,11-12H2,1-3H3
InChIKey BFLMQGWPILHOQV-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)CCC(CC)CC)C