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Sebacic acid, dec-4-enyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dec-4-enyl heptyl ester
SpectraBase Compound ID CyhTie1M2IK
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-13-17-21-25-31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-8-6-4-2/h10,13H,3-9,11-12,14-25H2,1-2H3/b13-10+
InChIKey ODIHSGQVAXIUQV-JLHYYAGUSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QKuxkLjaYW
Name Sebacic acid, dec-4-enyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-13-17-21-25-31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-8-6-4-2/h10,13H,3-9,11-12,14-25H2,1-2H3/b13-10+
InChIKey ODIHSGQVAXIUQV-JLHYYAGUSA-N
Molecular Weight 438.693 g/mol
SMILES C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCCCC)=O)=O