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cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl tridecyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl tridecyl ester
SpectraBase Compound ID LamCmkfwwMC
InChI InChI=1S/C29H52O4/c1-3-5-7-9-11-12-13-14-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-10-8-6-4-2/h18-19,26-27H,3-17,20-25H2,1-2H3
InChIKey NRVJQGMHMDDTNI-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0oM09DHedT
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-3-5-7-9-11-12-13-14-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-10-8-6-4-2/h18-19,26-27H,3-17,20-25H2,1-2H3
InChIKey NRVJQGMHMDDTNI-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCC)=O)C(=O)OCCCCCCCC