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Diethylmalonic acid, nonyl heptadecyl ester
SpectraBase Compound ID 5ho40VNP52K
InChI InChI=1S/C33H64O4/c1-5-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-37-32(35)33(7-3,8-4)31(34)36-29-27-25-23-14-12-10-6-2/h5-30H2,1-4H3
InChIKey DLLKVWWYINJEBB-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXfrV47QYxQ
Name Diethylmalonic acid, nonyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-5-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-37-32(35)33(7-3,8-4)31(34)36-29-27-25-23-14-12-10-6-2/h5-30H2,1-4H3
InChIKey DLLKVWWYINJEBB-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCCCCCCCCC)=O)CC