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Sebacic acid, but-2-enyl heptadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, but-2-enyl heptadecyl ester
SpectraBase Compound ID BXmLwXKCpSU
InChI InChI=1S/C31H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-24-21-18-17-20-23-26-30(32)34-28-6-4-2/h4,6H,3,5,7-29H2,1-2H3/b6-4+
InChIKey JVEUHNNXHIFJSG-GQCTYLIASA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9p1E2YmRs1
Name Sebacic acid, but-2-enyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.433510344 u
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-24-21-18-17-20-23-26-30(32)34-28-6-4-2/h4,6H,3,5,7-29H2,1-2H3/b6-4+
InChIKey JVEUHNNXHIFJSG-GQCTYLIASA-N
Molecular Weight 494.801 g/mol
SMILES C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCCCCCCCCCCCC)=O