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1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropyloxyphenyl diester
SpectraBase Compound ID 63M6Ud7UGhf
InChI InChI=1S/C21H30O5/c1-14(2)13-24-20(22)18-7-5-6-8-19(18)21(23)26-17-11-9-16(10-12-17)25-15(3)4/h9-12,14-15,18-19H,5-8,13H2,1-4H3
InChIKey OHKITRCDPVZNLC-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGgsmQw4pdU
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropyloxyphenyl diester
Comments Computed using HOSE algorithm
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Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-14(2)13-24-20(22)18-7-5-6-8-19(18)21(23)26-17-11-9-16(10-12-17)25-15(3)4/h9-12,14-15,18-19H,5-8,13H2,1-4H3
InChIKey OHKITRCDPVZNLC-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES CC(C)COC(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)=O