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Dimethylmalonic acid, 2,5-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl tridecyl ester
SpectraBase Compound ID CPusUS6K3fj
InChI InChI=1S/C24H36Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-29-22(27)24(2,3)23(28)30-21-18-19(25)15-16-20(21)26/h15-16,18H,4-14,17H2,1-3H3
InChIKey JTVDPVLQRPHJKJ-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Loq3vAE88qF
Name Dimethylmalonic acid, 2,5-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-29-22(27)24(2,3)23(28)30-21-18-19(25)15-16-20(21)26/h15-16,18H,4-14,17H2,1-3H3
InChIKey JTVDPVLQRPHJKJ-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCC)=O)(C)C)=O)Cl