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cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester
SpectraBase Compound ID 4mNmsNNl0EF
InChI InChI=1S/C20H34O4/c1-5-7-8-11-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(6-2)15(3)4/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKey RFZKOYQLSBPIEQ-UHFFFAOYSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEaYUsKFnAn
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-5-7-8-11-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(6-2)15(3)4/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKey RFZKOYQLSBPIEQ-UHFFFAOYSA-N
Molecular Weight 338.488 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCC