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cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl pentyl ester
SpectraBase Compound ID 1b02iCbASw8
InChI InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-6-4-2/h12-13,20-21H,3-11,14-19H2,1-2H3
InChIKey KGVPXIABOXFCAR-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjBrPOei17o
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-6-4-2/h12-13,20-21H,3-11,14-19H2,1-2H3
InChIKey KGVPXIABOXFCAR-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCCC