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Phthalic acid, di(8-chlorooctyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(8-chlorooctyl) ester
SpectraBase Compound ID 9N79fCEO3KU
InChI InChI=1S/C24H36Cl2O4/c25-17-11-5-1-3-7-13-19-29-23(27)21-15-9-10-16-22(21)24(28)30-20-14-8-4-2-6-12-18-26/h9-10,15-16H,1-8,11-14,17-20H2
InChIKey YPCJGZCBPCZFGT-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaFcHZo15Px
Name Phthalic acid, di(8-chlorooctyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c25-17-11-5-1-3-7-13-19-29-23(27)21-15-9-10-16-22(21)24(28)30-20-14-8-4-2-6-12-18-26/h9-10,15-16H,1-8,11-14,17-20H2
InChIKey YPCJGZCBPCZFGT-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCl)=O)C(OCCCCCCCCCl)=O