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1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl isobutyl ester
SpectraBase Compound ID 6b7EaKkykPK
InChI InChI=1S/C19H30O4/c1-14(2)12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-8-4-3-5-9-15/h3-4,14-17H,5-13H2,1-2H3
InChIKey YUCZHEXLLRNOJX-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eEWpYtWqKa
Name 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.214409442 u
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-14(2)12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-8-4-3-5-9-15/h3-4,14-17H,5-13H2,1-2H3
InChIKey YUCZHEXLLRNOJX-UHFFFAOYSA-N
Molecular Weight 322.445 g/mol
SMILES CC(C)COC(C1C(C(=O)OCC2CC=CCC2)CCCC1)=O