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Succinic acid, propyl 2-propylpentyl ester
SpectraBase Compound ID 3WxL0U5BTQs
InChI InChI=1S/C15H28O4/c1-4-7-13(8-5-2)12-19-15(17)10-9-14(16)18-11-6-3/h13H,4-12H2,1-3H3
InChIKey NUHYGOQDPVRQSK-UHFFFAOYSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iKh6oMhj91
Name Succinic acid, propyl 2-propylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 272.198759378 u
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-4-7-13(8-5-2)12-19-15(17)10-9-14(16)18-11-6-3/h13H,4-12H2,1-3H3
InChIKey NUHYGOQDPVRQSK-UHFFFAOYSA-N
SMILES C(CCC(OCC(CCC)CCC)=O)(OCCC)=O