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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl octadecyl ester
SpectraBase Compound ID 1uYB2OqkOkQ
InChI InChI=1S/C28H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)26-23-20-19-22-25(26)27(29)31-4-2/h19-20,25-26H,3-18,21-24H2,1-2H3
InChIKey YXJWBNGKHSCQFR-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InAfK8MXVbq
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)26-23-20-19-22-25(26)27(29)31-4-2/h19-20,25-26H,3-18,21-24H2,1-2H3
InChIKey YXJWBNGKHSCQFR-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCC