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Sebacic acid, 2,3-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorophenyl dodecyl ester
SpectraBase Compound ID 6IRq8BDVIhd
InChI InChI=1S/C28H44Cl2O4/c1-2-3-4-5-6-7-8-11-14-17-23-33-26(31)21-15-12-9-10-13-16-22-27(32)34-25-20-18-19-24(29)28(25)30/h18-20H,2-17,21-23H2,1H3
InChIKey CAGJOTVGDREBIL-UHFFFAOYSA-N
Mol Weight 515.6 g/mol
Molecular Formula C28H44Cl2O4
Exact Mass 514.261665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsKSwvbzFfJ
Name Sebacic acid, 2,3-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.261665293 u
Formula C28H44Cl2O4
InChI InChI=1S/C28H44Cl2O4/c1-2-3-4-5-6-7-8-11-14-17-23-33-26(31)21-15-12-9-10-13-16-22-27(32)34-25-20-18-19-24(29)28(25)30/h18-20H,2-17,21-23H2,1H3
InChIKey CAGJOTVGDREBIL-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCCCCCCCCC)=O