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Succinic acid, isobutyl 2-octyl ester
SpectraBase Compound ID F3O9xWuWbTT
InChI InChI=1S/C16H30O4/c1-5-6-7-8-9-14(4)20-16(18)11-10-15(17)19-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey XXDADBGFOVSCFP-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvI292yoSeN
Name Succinic acid, isobutyl 2-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-5-6-7-8-9-14(4)20-16(18)11-10-15(17)19-12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey XXDADBGFOVSCFP-UHFFFAOYSA-N
SMILES C(C(OC(=O)CCC(OCC(C)C)=O)C)CCCCC