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Sebacic acid, 2,4-dichlorophenethyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenethyl octyl ester
SpectraBase Compound ID BOzijjhgli9
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-10-13-19-31-25(29)14-11-8-6-7-9-12-15-26(30)32-20-18-22-16-17-23(27)21-24(22)28/h16-17,21H,2-15,18-20H2,1H3
InChIKey VGOMDWRMHGGYFO-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H40Cl2O4
Exact Mass 486.230365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34DG2wx4aNd
Name Sebacic acid, 2,4-dichlorophenethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-10-13-19-31-25(29)14-11-8-6-7-9-12-15-26(30)32-20-18-22-16-17-23(27)21-24(22)28/h16-17,21H,2-15,18-20H2,1H3
InChIKey VGOMDWRMHGGYFO-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCCCCCCCC)=O