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Diethylmalonic acid, butyl 2-ethylbutyl ester
SpectraBase Compound ID 1PtQJfBMFwX
InChI InChI=1S/C17H32O4/c1-6-11-12-20-15(18)17(9-4,10-5)16(19)21-13-14(7-2)8-3/h14H,6-13H2,1-5H3
InChIKey CHCMXPMAHQUQFS-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3imDUKzUuJv
Name Diethylmalonic acid, butyl 2-ethylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 300.230059506 u
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-6-11-12-20-15(18)17(9-4,10-5)16(19)21-13-14(7-2)8-3/h14H,6-13H2,1-5H3
InChIKey CHCMXPMAHQUQFS-UHFFFAOYSA-N
SMILES CCC(C(OCCCC)=O)(C(OCC(CC)CC)=O)CC