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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl octyl ester
SpectraBase Compound ID 3KtUxd4zvQZ
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-12-13-18(2)3/h9-10,18-20H,4-8,11-17H2,1-3H3
InChIKey LGUUOHIIBBPLKC-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WadfXJSkw6
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-12-13-18(2)3/h9-10,18-20H,4-8,11-17H2,1-3H3
InChIKey LGUUOHIIBBPLKC-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCCCCCCCC