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Sebacic acid, heptyl pentyl ester
SpectraBase Compound ID H4AZdshyZdS
InChI InChI=1S/C22H42O4/c1-3-5-7-12-16-20-26-22(24)18-14-11-9-8-10-13-17-21(23)25-19-15-6-4-2/h3-20H2,1-2H3
InChIKey UFFLGXDDHOFUNJ-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkKrvEeI6AO
Name Sebacic acid, heptyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-3-5-7-12-16-20-26-22(24)18-14-11-9-8-10-13-17-21(23)25-19-15-6-4-2/h3-20H2,1-2H3
InChIKey UFFLGXDDHOFUNJ-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES C(CCCCCC(OCCCCCCC)=O)CCC(OCCCCC)=O