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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl undecyl ester
SpectraBase Compound ID IRaeHYwsWNx
InChI InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-4-2/h12-13,18-19H,3-11,14-17H2,1-2H3
InChIKey METHQUDQVSRNCO-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5G7KdgaNc2
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-4-2/h12-13,18-19H,3-11,14-17H2,1-2H3
InChIKey METHQUDQVSRNCO-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCC)=O)C(=O)OCC