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Sebacic acid, cis-non-3-enyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, cis-non-3-enyl heptyl ester
SpectraBase Compound ID 5VhgU7KERZY
InChI InChI=1S/C26H48O4/c1-3-5-7-9-12-16-20-24-30-26(28)22-18-14-11-10-13-17-21-25(27)29-23-19-15-8-6-4-2/h12,16H,3-11,13-15,17-24H2,1-2H3/b16-12-
InChIKey KRQAKWSOFLWPLS-VBKFSLOCSA-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 GSJ0aILEhsK
Name Sebacic acid, cis-non-3-enyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-3-5-7-9-12-16-20-24-30-26(28)22-18-14-11-10-13-17-21-25(27)29-23-19-15-8-6-4-2/h12,16H,3-11,13-15,17-24H2,1-2H3/b16-12-
InChIKey KRQAKWSOFLWPLS-VBKFSLOCSA-N
Molecular Weight 424.666 g/mol
SMILES C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCCCC)=O