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Phthalic acid, 2,4-dichlorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl tridecyl ester
SpectraBase Compound ID 8GFKzo8ToVM
InChI InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-17-18-23(29)20-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey PTXCKIVRSGPSGW-UHFFFAOYSA-N
Mol Weight 507.5 g/mol
Molecular Formula C28H36Cl2O4
Exact Mass 506.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kZR8ts60Bx
Name Phthalic acid, 2,4-dichlorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.199065035 u
Formula C28H36Cl2O4
InChI InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-17-18-23(29)20-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey PTXCKIVRSGPSGW-UHFFFAOYSA-N
Molecular Weight 507.498 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCCCCCCCCC