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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-methylbutyl ester
SpectraBase Compound ID GOANWoBRCvp
InChI InChI=1S/C20H34O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKey QZQADGKFNCDFKI-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 DrMbPV2AEyz
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,16-18H,4-7,10-15H2,1-3H3
InChIKey QZQADGKFNCDFKI-UHFFFAOYSA-N
Molecular Weight 338.488 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCC