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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl octyl ester
SpectraBase Compound ID 7EqhEKu19xI
InChI InChI=1S/C24H42O4/c1-4-7-9-10-11-14-18-27-23(25)21-16-12-13-17-22(21)24(26)28-19-20(6-3)15-8-5-2/h12-13,20-22H,4-11,14-19H2,1-3H3
InChIKey AGLFVKJEDRJRQO-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 8dpPieu7mry
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-4-7-9-10-11-14-18-27-23(25)21-16-12-13-17-22(21)24(26)28-19-20(6-3)15-8-5-2/h12-13,20-22H,4-11,14-19H2,1-3H3
InChIKey AGLFVKJEDRJRQO-UHFFFAOYSA-N
Molecular Weight 394.596 g/mol
SMILES C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCC