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cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl ester
SpectraBase Compound ID 8dKuvpfBi0C
InChI InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,20-22H,4-10,13-19H2,1-3H3
InChIKey XMCMJELDIRPLHH-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdTobH386sy
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,20-22H,4-10,13-19H2,1-3H3
InChIKey XMCMJELDIRPLHH-UHFFFAOYSA-N
Molecular Weight 394.596 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCC(C)C