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Diethylmalonic acid, hept-4-yl pentadecyl ester

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Diethylmalonic acid, hept-4-yl pentadecyl ester
SpectraBase Compound ID LwRS6W0sZUm
InChI InChI=1S/C29H56O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)29(9-4,10-5)28(31)33-26(23-7-2)24-8-3/h26H,6-25H2,1-5H3
InChIKey XIBKHPUFOKKOEF-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 yMV01XjyFz
Name Diethylmalonic acid, hept-4-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)29(9-4,10-5)28(31)33-26(23-7-2)24-8-3/h26H,6-25H2,1-5H3
InChIKey XIBKHPUFOKKOEF-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC