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Dimethylmalonic acid, dodecyl heptadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, dodecyl heptadecyl ester
SpectraBase Compound ID 99RpzvKqJm7
InChI InChI=1S/C34H66O4/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-38-33(36)34(3,4)32(35)37-30-28-26-24-22-16-14-12-10-8-6-2/h5-31H2,1-4H3
InChIKey FYYGRRNLKBWTOK-UHFFFAOYSA-N
Mol Weight 538.9 g/mol
Molecular Formula C34H66O4
Exact Mass 538.496111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ce7yJ8OmB2
Name Dimethylmalonic acid, dodecyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.496110601 u
Formula C34H66O4
InChI InChI=1S/C34H66O4/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-38-33(36)34(3,4)32(35)37-30-28-26-24-22-16-14-12-10-8-6-2/h5-31H2,1-4H3
InChIKey FYYGRRNLKBWTOK-UHFFFAOYSA-N
Molecular Weight 538.898 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(C(OCCCCCCCCCCCC)=O)(C)C)=O