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Dimethylmalonic acid, nonyl propyl ester
SpectraBase Compound ID G6bfSSLjlnO
InChI InChI=1S/C17H32O4/c1-5-7-8-9-10-11-12-14-21-16(19)17(3,4)15(18)20-13-6-2/h5-14H2,1-4H3
InChIKey MUGHTRGNWIIDLI-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 LNpYYHqrYwv
Name Dimethylmalonic acid, nonyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 300.230059506 u
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-5-7-8-9-10-11-12-14-21-16(19)17(3,4)15(18)20-13-6-2/h5-14H2,1-4H3
InChIKey MUGHTRGNWIIDLI-UHFFFAOYSA-N
SMILES CCCOC(C(C(=O)OCCCCCCCCC)(C)C)=O