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Diethylmalonic acid, 2-ethylbutyl hexadecyl ester

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Diethylmalonic acid, 2-ethylbutyl hexadecyl ester
SpectraBase Compound ID KSuOZfTzHB1
InChI InChI=1S/C29H56O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-27(30)29(9-4,10-5)28(31)33-25-26(7-2)8-3/h26H,6-25H2,1-5H3
InChIKey NBGHRTKZGAMYLD-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MO3xJdotBQ
Name Diethylmalonic acid, 2-ethylbutyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-27(30)29(9-4,10-5)28(31)33-25-26(7-2)8-3/h26H,6-25H2,1-5H3
InChIKey NBGHRTKZGAMYLD-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC(CC)CC)=O)CC