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Sebacic acid, 2,3-dichlorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorobenzyl nonyl ester
SpectraBase Compound ID J51VEWKF4Gr
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-8-11-14-20-31-24(29)18-12-9-6-7-10-13-19-25(30)32-21-22-16-15-17-23(27)26(22)28/h15-17H,2-14,18-21H2,1H3
InChIKey HRIAYKGLCJPBAD-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 1hPhQQqtThf
Name Sebacic acid, 2,3-dichlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-8-11-14-20-31-24(29)18-12-9-6-7-10-13-19-25(30)32-21-22-16-15-17-23(27)26(22)28/h15-17H,2-14,18-21H2,1H3
InChIKey HRIAYKGLCJPBAD-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C(CCCCCCC(OCCCCCCCCC)=O)CC(OCC1=CC=CC(=C1Cl)Cl)=O