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cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester
SpectraBase Compound ID LOuGO2BpMgJ
InChI InChI=1S/C20H34O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKey YATYGCAZZLBGLV-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 LdExBVh19SO
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(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/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKey YATYGCAZZLBGLV-UHFFFAOYSA-N
Molecular Weight 338.488 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OC(CC)C(C)C