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Sebacic acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 6WQPO0o1Qv6
InChI InChI=1S/C24H35Cl3O4/c1-4-11-22(17(2)3)31-24(29)13-10-8-6-5-7-9-12-23(28)30-16-19-20(26)14-18(25)15-21(19)27/h14-15,17,22H,4-13,16H2,1-3H3
InChIKey LCDIFUCTVCODHF-UHFFFAOYSA-N
Mol Weight 493.9 g/mol
Molecular Formula C24H35Cl3O4
Exact Mass 492.160093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvANEuOkBHX
Name Sebacic acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.160092703 u
Formula C24H35Cl3O4
InChI InChI=1S/C24H35Cl3O4/c1-4-11-22(17(2)3)31-24(29)13-10-8-6-5-7-9-12-23(28)30-16-19-20(26)14-18(25)15-21(19)27/h14-15,17,22H,4-13,16H2,1-3H3
InChIKey LCDIFUCTVCODHF-UHFFFAOYSA-N
Molecular Weight 493.899 g/mol
SMILES C(CCCCCCC(OC(CCC)C(C)C)=O)CC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O