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Sebacic acid, di(2,4,6-trichlorobenzyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2,4,6-trichlorobenzyl) ester
SpectraBase Compound ID EbvlYp1tMWY
InChI InChI=1S/C24H24Cl6O4/c25-15-9-19(27)17(20(28)10-15)13-33-23(31)7-5-3-1-2-4-6-8-24(32)34-14-18-21(29)11-16(26)12-22(18)30/h9-12H,1-8,13-14H2
InChIKey NISMECQHDIIBEJ-UHFFFAOYSA-N
Mol Weight 589.2 g/mol
Molecular Formula C24H24Cl6O4
Exact Mass 585.980575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRhCLhW4rdx
Name Sebacic acid, di(2,4,6-trichlorobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 585.980575449 u
Formula C24H24Cl6O4
InChI InChI=1S/C24H24Cl6O4/c25-15-9-19(27)17(20(28)10-15)13-33-23(31)7-5-3-1-2-4-6-8-24(32)34-14-18-21(29)11-16(26)12-22(18)30/h9-12H,1-8,13-14H2
InChIKey NISMECQHDIIBEJ-UHFFFAOYSA-N
Molecular Weight 589.170 g/mol
SMILES C(CCCCCCC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O)CC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O