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Sebacic acid, di(4-chlorophenethyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(4-chlorophenethyl) ester
SpectraBase Compound ID 38BIm9pLP6I
InChI InChI=1S/C26H32Cl2O4/c27-23-13-9-21(10-14-23)17-19-31-25(29)7-5-3-1-2-4-6-8-26(30)32-20-18-22-11-15-24(28)16-12-22/h9-16H,1-8,17-20H2
InChIKey JKVVYHNRRWBITD-UHFFFAOYSA-N
Mol Weight 479.4 g/mol
Molecular Formula C26H32Cl2O4
Exact Mass 478.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oATGdYPxgx
Name Sebacic acid, di(4-chlorophenethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 478.167764906 u
Formula C26H32Cl2O4
InChI InChI=1S/C26H32Cl2O4/c27-23-13-9-21(10-14-23)17-19-31-25(29)7-5-3-1-2-4-6-8-26(30)32-20-18-22-11-15-24(28)16-12-22/h9-16H,1-8,17-20H2
InChIKey JKVVYHNRRWBITD-UHFFFAOYSA-N
Molecular Weight 479.444 g/mol
SMILES C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCCC1=CC=C(C=C1)Cl)=O