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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl undecyl ester
SpectraBase Compound ID JPm5MXKylYL
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey UEJZDSIUSIURJY-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 66NvpYjSytb
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey UEJZDSIUSIURJY-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCC)=O)C(=O)OCCCCCCCCC