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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl undecyl ester
SpectraBase Compound ID 1a9UNijPd6v
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-10-8-6-4-2/h16-17,24-25H,3-15,18-23H2,1-2H3
InChIKey WGKYEDRNVLTRBE-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VMQ2R4wAZb
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-10-8-6-4-2/h16-17,24-25H,3-15,18-23H2,1-2H3
InChIKey WGKYEDRNVLTRBE-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCC)=O)C(=O)OCCCCCCCC