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1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropyloxyphenyl diester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropyloxyphenyl diester
SpectraBase Compound ID GYYNicH5EZA
InChI InChI=1S/C24H36O5/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)29-20-15-13-19(14-16-20)28-18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3
InChIKey ZSJZJEKIUJULKL-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4R9lIYR9dVd
Name 1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropyloxyphenyl diester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)29-20-15-13-19(14-16-20)28-18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3
InChIKey ZSJZJEKIUJULKL-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)(OCCCCCCC)=O