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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl octyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl octyl ester
SpectraBase Compound ID LOT7tApEVnH
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-11-15-24-20(22)18-12-9-10-13-19(18)21(23)25-16-14-17(2)3/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKey RTQFRCFDNQOMRT-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgM8Z8LVSSW
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-11-15-24-20(22)18-12-9-10-13-19(18)21(23)25-16-14-17(2)3/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKey RTQFRCFDNQOMRT-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCC