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Dimethylmalonic acid, 4-chlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-chlorophenyl pentadecyl ester
SpectraBase Compound ID IIjxrkFHd2K
InChI InChI=1S/C26H41ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24(28)26(2,3)25(29)31-23-19-17-22(27)18-20-23/h17-20H,4-16,21H2,1-3H3
InChIKey UWCXKJKFJPSPST-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RbcCjp0cuk
Name Dimethylmalonic acid, 4-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24(28)26(2,3)25(29)31-23-19-17-22(27)18-20-23/h17-20H,4-16,21H2,1-3H3
InChIKey UWCXKJKFJPSPST-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCC)=O)Cl