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Dimethylmalonic acid, 4-chlorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-chlorophenyl heptadecyl ester
SpectraBase Compound ID G8Cdm0jqQMl
InChI InChI=1S/C28H45ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-26(30)28(2,3)27(31)33-25-21-19-24(29)20-22-25/h19-22H,4-18,23H2,1-3H3
InChIKey IVLPYLKESZDWLO-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EAlvYQOP10
Name Dimethylmalonic acid, 4-chlorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-26(30)28(2,3)27(31)33-25-21-19-24(29)20-22-25/h19-22H,4-18,23H2,1-3H3
InChIKey IVLPYLKESZDWLO-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCC)=O)Cl