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Sebacic acid, decyl 2,6-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,6-dichlorophenyl ester
SpectraBase Compound ID A9cpAUhAxpW
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-6-9-12-15-21-31-24(29)19-13-10-7-8-11-14-20-25(30)32-26-22(27)17-16-18-23(26)28/h16-18H,2-15,19-21H2,1H3
InChIKey SWAFTMINSNSNHX-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 EcpbFuaq4ex
Name Sebacic acid, decyl 2,6-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-6-9-12-15-21-31-24(29)19-13-10-7-8-11-14-20-25(30)32-26-22(27)17-16-18-23(26)28/h16-18H,2-15,19-21H2,1H3
InChIKey SWAFTMINSNSNHX-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C(CCCCCCC(OC1=C(C=CC=C1Cl)Cl)=O)CC(OCCCCCCCCCC)=O