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Sebacic acid, dodecyl 2,3,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID 8IJ6BwGprvY
InChI InChI=1S/C28H43Cl3O4/c1-2-3-4-5-6-7-8-11-14-17-22-34-25(32)18-15-12-9-10-13-16-19-26(33)35-28-24(30)21-20-23(29)27(28)31/h20-21H,2-19,22H2,1H3
InChIKey UAMZLBFLPNXVER-UHFFFAOYSA-N
Mol Weight 550.0 g/mol
Molecular Formula C28H43Cl3O4
Exact Mass 548.222693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TBHm7OQEsc
Name Sebacic acid, dodecyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 548.222692961 u
Formula C28H43Cl3O4
InChI InChI=1S/C28H43Cl3O4/c1-2-3-4-5-6-7-8-11-14-17-22-34-25(32)18-15-12-9-10-13-16-19-26(33)35-28-24(30)21-20-23(29)27(28)31/h20-21H,2-19,22H2,1H3
InChIKey UAMZLBFLPNXVER-UHFFFAOYSA-N
Molecular Weight 550.007 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)CCC(OCCCCCCCCCCCC)=O