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Sebacic acid, 2,5-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl tridecyl ester
SpectraBase Compound ID 39edfQCuguE
InChI InChI=1S/C29H46Cl2O4/c1-2-3-4-5-6-7-8-9-12-15-18-23-34-28(32)19-16-13-10-11-14-17-20-29(33)35-27-24-25(30)21-22-26(27)31/h21-22,24H,2-20,23H2,1H3
InChIKey VMWZFKCQUUZBBE-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C29H46Cl2O4
Exact Mass 528.277315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iymmiPav83
Name Sebacic acid, 2,5-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.277315357 u
Formula C29H46Cl2O4
InChI InChI=1S/C29H46Cl2O4/c1-2-3-4-5-6-7-8-9-12-15-18-23-34-28(32)19-16-13-10-11-14-17-20-29(33)35-27-24-25(30)21-22-26(27)31/h21-22,24H,2-20,23H2,1H3
InChIKey VMWZFKCQUUZBBE-UHFFFAOYSA-N
Molecular Weight 529.589 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCCCCCCCCCCCCC)=O