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Sebacic acid, dodecyl 2,3,5,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 2,3,5,6-tetrachlorophenyl ester
SpectraBase Compound ID EtPFHvhyujF
InChI InChI=1S/C28H42Cl4O4/c1-2-3-4-5-6-7-8-11-14-17-20-35-24(33)18-15-12-9-10-13-16-19-25(34)36-28-26(31)22(29)21-23(30)27(28)32/h21H,2-20H2,1H3
InChIKey MOXNOBZQOJMZNW-UHFFFAOYSA-N
Mol Weight 584.5 g/mol
Molecular Formula C28H42Cl4O4
Exact Mass 582.183721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyRchTV2dme
Name Sebacic acid, dodecyl 2,3,5,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 582.183720628 u
Formula C28H42Cl4O4
InChI InChI=1S/C28H42Cl4O4/c1-2-3-4-5-6-7-8-11-14-17-20-35-24(33)18-15-12-9-10-13-16-19-25(34)36-28-26(31)22(29)21-23(30)27(28)32/h21H,2-20H2,1H3
InChIKey MOXNOBZQOJMZNW-UHFFFAOYSA-N
Molecular Weight 584.452 g/mol
SMILES C(CCCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)CCCC(OCCCCCCCCCCCC)=O