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Sebacic acid, hexyl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID IF5LjpMlLqf
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-11-14-29-22(27)12-9-7-5-6-8-10-13-23(28)30-17-19-20(25)15-18(24)16-21(19)26/h15-16H,2-14,17H2,1H3
InChIKey SFSIVUVDBFAGFG-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcplGA0oItJ
Name Sebacic acid, hexyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.144442639 u
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-11-14-29-22(27)12-9-7-5-6-8-10-13-23(28)30-17-19-20(25)15-18(24)16-21(19)26/h15-16H,2-14,17H2,1H3
InChIKey SFSIVUVDBFAGFG-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(CCCCCCC(OCCCCCC)=O)CC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O