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Sebacic acid, 2,4-dichlorophenethyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenethyl heptyl ester
SpectraBase Compound ID 5FFMkruhjif
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-9-12-18-30-24(28)13-10-7-5-6-8-11-14-25(29)31-19-17-21-15-16-22(26)20-23(21)27/h15-16,20H,2-14,17-19H2,1H3
InChIKey HROZXJMEQBWTPK-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jt3TzI9oinI
Name Sebacic acid, 2,4-dichlorophenethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-9-12-18-30-24(28)13-10-7-5-6-8-11-14-25(29)31-19-17-21-15-16-22(26)20-23(21)27/h15-16,20H,2-14,17-19H2,1H3
InChIKey HROZXJMEQBWTPK-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCCCCCCC)=O