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Isophthalic acid, di(3,4-dimethylcyclohexyl) ester

View entire compound with spectra: 1 NMR

Isophthalic acid, di(3,4-dimethylcyclohexyl) ester
SpectraBase Compound ID IdbJrh40PX1
InChI InChI=1S/C24H34O4/c1-15-8-10-21(12-17(15)3)27-23(25)19-6-5-7-20(14-19)24(26)28-22-11-9-16(2)18(4)13-22/h5-7,14-18,21-22H,8-13H2,1-4H3
InChIKey KUNRZTCFBZTQPL-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCLpWllSjRE
Name Isophthalic acid, di(3,4-dimethylcyclohexyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 386.245709571 u
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-15-8-10-21(12-17(15)3)27-23(25)19-6-5-7-20(14-19)24(26)28-22-11-9-16(2)18(4)13-22/h5-7,14-18,21-22H,8-13H2,1-4H3
InChIKey KUNRZTCFBZTQPL-UHFFFAOYSA-N
Molecular Weight 386.532 g/mol
SMILES C(C1=CC(=CC=C1)C(OC1CCC(C(C1)C)C)=O)(OC1CC(C)C(C)CC1)=O