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Dimethylmalonic acid, 2,5-dichlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl tetradecyl ester
SpectraBase Compound ID 13vgtJogXnF
InChI InChI=1S/C25H38Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(28)25(2,3)24(29)31-22-19-20(26)16-17-21(22)27/h16-17,19H,4-15,18H2,1-3H3
InChIKey YSRIVQFFDQTHLK-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Qd1b3MEGQd
Name Dimethylmalonic acid, 2,5-dichlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(28)25(2,3)24(29)31-22-19-20(26)16-17-21(22)27/h16-17,19H,4-15,18H2,1-3H3
InChIKey YSRIVQFFDQTHLK-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCCCC)=O)(C)C)=O)Cl