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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl undecyl ester
SpectraBase Compound ID BjAr3qHuRGl
InChI InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-6-4-2/h13-14,20-21H,3-12,15-19H2,1-2H3
InChIKey JLLCENQFWFQBLX-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78Aolnyvj2E
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-6-4-2/h13-14,20-21H,3-12,15-19H2,1-2H3
InChIKey JLLCENQFWFQBLX-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCC)=O)C(=O)OCCCC