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

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3,6-trichlorophenyl undecyl ester
SpectraBase Compound ID GqDJntXTudq
InChI InChI=1S/C27H41Cl3O4/c1-2-3-4-5-6-7-10-13-16-21-33-24(31)17-14-11-8-9-12-15-18-25(32)34-27-23(29)20-19-22(28)26(27)30/h19-20H,2-18,21H2,1H3
InChIKey VNXKEJGUVCJOIP-UHFFFAOYSA-N
Mol Weight 536.0 g/mol
Molecular Formula C27H41Cl3O4
Exact Mass 534.207043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EglEMdV4J8M
Name Sebacic acid, 2,3,6-trichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 534.207042896 u
Formula C27H41Cl3O4
InChI InChI=1S/C27H41Cl3O4/c1-2-3-4-5-6-7-10-13-16-21-33-24(31)17-14-11-8-9-12-15-18-25(32)34-27-23(29)20-19-22(28)26(27)30/h19-20H,2-18,21H2,1H3
InChIKey VNXKEJGUVCJOIP-UHFFFAOYSA-N
Molecular Weight 535.980 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)CCC(OCCCCCCCCCCC)=O