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Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl ester
SpectraBase Compound ID 3bM65fjiQgU
InChI InChI=1S/C24H35Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-30-22(28)24(2,3)23(29)31-21-19(26)16-18(25)17-20(21)27/h16-17H,4-15H2,1-3H3
InChIKey UBDGSCKYGHBSRB-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 7ZJ4dr5WSlV
Name Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.160092703 u
Formula C24H35Cl3O4
InChI InChI=1S/C24H35Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-30-22(28)24(2,3)23(29)31-21-19(26)16-18(25)17-20(21)27/h16-17H,4-15H2,1-3H3
InChIKey UBDGSCKYGHBSRB-UHFFFAOYSA-N
Molecular Weight 493.899 g/mol
SMILES C1=C(C=C(C(=C1Cl)OC(C(C(OCCCCCCCCCCCCC)=O)(C)C)=O)Cl)Cl