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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester
SpectraBase Compound ID 1RMVJxtaBvt
InChI InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,20-23H,5-13,16-19H2,1-4H3
InChIKey AFADIWIYBCMZSY-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vjRHC9kIef
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,20-23H,5-13,16-19H2,1-4H3
InChIKey AFADIWIYBCMZSY-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCC