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Dimethylmalonic acid, 4-acetylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-acetylphenyl pentadecyl ester
SpectraBase Compound ID 4kT27D3yFEw
InChI InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26(30)28(3,4)27(31)33-25-20-18-24(19-21-25)23(2)29/h18-21H,5-17,22H2,1-4H3
InChIKey HDUNLWAMDYZZKU-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IILyQzFLePY
Name Dimethylmalonic acid, 4-acetylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.318874512 u
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26(30)28(3,4)27(31)33-25-20-18-24(19-21-25)23(2)29/h18-21H,5-17,22H2,1-4H3
InChIKey HDUNLWAMDYZZKU-UHFFFAOYSA-N
Molecular Weight 460.655 g/mol
SMILES CC(C1=CC=C(C=C1)OC(C(C(OCCCCCCCCCCCCCCC)=O)(C)C)=O)=O