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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl octyl ester
SpectraBase Compound ID GHRqBdqLxGP
InChI InChI=1S/C22H38O4/c1-5-7-8-9-10-13-16-25-21(23)18-14-11-12-15-19(18)22(24)26-20(6-2)17(3)4/h11-12,17-20H,5-10,13-16H2,1-4H3
InChIKey KHDRGOLRFVGAOF-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 8sxVG1VFSJq
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-5-7-8-9-10-13-16-25-21(23)18-14-11-12-15-19(18)22(24)26-20(6-2)17(3)4/h11-12,17-20H,5-10,13-16H2,1-4H3
InChIKey KHDRGOLRFVGAOF-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCC