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Sebacic acid, decyl 2,4-dichlorophenethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,4-dichlorophenethyl ester
SpectraBase Compound ID 3YpaJsRn4sg
InChI InChI=1S/C28H44Cl2O4/c1-2-3-4-5-6-9-12-15-21-33-27(31)16-13-10-7-8-11-14-17-28(32)34-22-20-24-18-19-25(29)23-26(24)30/h18-19,23H,2-17,20-22H2,1H3
InChIKey SQZSIKDVPSXPDE-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 13LwUBCiQ93
Name Sebacic acid, decyl 2,4-dichlorophenethyl 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/c1-2-3-4-5-6-9-12-15-21-33-27(31)16-13-10-7-8-11-14-17-28(32)34-22-20-24-18-19-25(29)23-26(24)30/h18-19,23H,2-17,20-22H2,1H3
InChIKey SQZSIKDVPSXPDE-UHFFFAOYSA-N
Molecular Weight 515.562 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCCCCCCCCCC)=O