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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl undecyl ester
SpectraBase Compound ID LtUGFelGFJN
InChI InChI=1S/C25H44O4/c1-4-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(5-2)6-3/h14-15,21-23H,4-13,16-20H2,1-3H3
InChIKey PLOSKGOPHJXHBL-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WE3n9ahE6f
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-4-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(5-2)6-3/h14-15,21-23H,4-13,16-20H2,1-3H3
InChIKey PLOSKGOPHJXHBL-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCCC