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Succinic acid, non-4-enyl tridecyl ester
SpectraBase Compound ID Hzgsqdf5vtB
InChI InChI=1S/C26H48O4/c1-3-5-7-9-11-12-13-14-16-18-20-24-30-26(28)22-21-25(27)29-23-19-17-15-10-8-6-4-2/h10,15H,3-9,11-14,16-24H2,1-2H3/b15-10+
InChIKey LKHOFXGFOZXVKI-XNTDXEJSSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChJb8yWYEzJ
Name Succinic acid, non-4-enyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-3-5-7-9-11-12-13-14-16-18-20-24-30-26(28)22-21-25(27)29-23-19-17-15-10-8-6-4-2/h10,15H,3-9,11-14,16-24H2,1-2H3/b15-10+
InChIKey LKHOFXGFOZXVKI-XNTDXEJSSA-N
Molecular Weight 424.666 g/mol
SMILES CCCC\C=C\CCCOC(CCC(OCCCCCCCCCCCCC)=O)=O