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Sebacic acid, di(3-chlorophenethyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(3-chlorophenethyl) ester
SpectraBase Compound ID 1Vh9Y9mSupf
InChI InChI=1S/C26H32Cl2O4/c27-23-11-7-9-21(19-23)15-17-31-25(29)13-5-3-1-2-4-6-14-26(30)32-18-16-22-10-8-12-24(28)20-22/h7-12,19-20H,1-6,13-18H2
InChIKey RANMUGAXGBBTJQ-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 6kb9ISEzVEz
Name Sebacic acid, di(3-chlorophenethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 478.167764906 u
Formula C26H32Cl2O4
InChI InChI=1S/C26H32Cl2O4/c27-23-11-7-9-21(19-23)15-17-31-25(29)13-5-3-1-2-4-6-14-26(30)32-18-16-22-10-8-12-24(28)20-22/h7-12,19-20H,1-6,13-18H2
InChIKey RANMUGAXGBBTJQ-UHFFFAOYSA-N
Molecular Weight 479.444 g/mol
SMILES C(CCCCCCCC(OCCC1=CC(=CC=C1)Cl)=O)C(OCCC1=CC(=CC=C1)Cl)=O