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1,2-Cyclohexanedicarboxylic acid, nonyl 4-isopropyloxyphenyl dieste

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, nonyl 4-isopropyloxyphenyl dieste
SpectraBase Compound ID A2vrzgs9xcs
InChI InChI=1S/C26H40O5/c1-4-5-6-7-8-9-12-19-29-25(27)23-13-10-11-14-24(23)26(28)31-22-17-15-21(16-18-22)30-20(2)3/h15-18,20,23-24H,4-14,19H2,1-3H3
InChIKey MTDUZCPRZMIQST-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31CcJCO8tL0
Name 1,2-Cyclohexanedicarboxylic acid, nonyl 4-isopropyloxyphenyl dieste
Comments Computed using HOSE algorithm
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Exact Mass 432.287574383 u
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-4-5-6-7-8-9-12-19-29-25(27)23-13-10-11-14-24(23)26(28)31-22-17-15-21(16-18-22)30-20(2)3/h15-18,20,23-24H,4-14,19H2,1-3H3
InChIKey MTDUZCPRZMIQST-UHFFFAOYSA-N
Molecular Weight 432.601 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)(OCCCCCCCCC)=O