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Adipic acid, pentadecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Adipic acid, pentadecyl trans-hex-3-enyl ester
SpectraBase Compound ID JyoCmKxMdXJ
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-8-6-4-2/h6,8H,3-5,7,9-25H2,1-2H3/b8-6+
InChIKey UJPOWTRPAIUPAO-SOFGYWHQSA-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 CW7H0wobUYb
Name Adipic acid, pentadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-8-6-4-2/h6,8H,3-5,7,9-25H2,1-2H3/b8-6+
InChIKey UJPOWTRPAIUPAO-SOFGYWHQSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCCCCC)=O