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Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester
SpectraBase Compound ID 5VsSQiFlmUr
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-27(30)29(3,4)28(31)33-26-22-20-25(2)21-23-26/h25-26H,5-24H2,1-4H3
InChIKey VGAFGWAKYAHZQB-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYwOvS0U8Xd
Name Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-27(30)29(3,4)28(31)33-26-22-20-25(2)21-23-26/h25-26H,5-24H2,1-4H3
InChIKey VGAFGWAKYAHZQB-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCCCCCC)=O)(C)C)=O)C