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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, undecyl 4-isopropyloxyphenyl diester
SpectraBase Compound ID 6xZ7N9yvJMd
InChI InChI=1S/C28H44O5/c1-4-5-6-7-8-9-10-11-14-21-31-27(29)25-15-12-13-16-26(25)28(30)33-24-19-17-23(18-20-24)32-22(2)3/h17-20,22,25-26H,4-16,21H2,1-3H3
InChIKey AZCWAFJFQRQFQS-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mYn5mP67LW
Name 1,2-Cyclohexanedicarboxylic acid, undecyl 4-isopropyloxyphenyl diester
Comments Computed using HOSE algorithm
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Exact Mass 460.318874512 u
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-4-5-6-7-8-9-10-11-14-21-31-27(29)25-15-12-13-16-26(25)28(30)33-24-19-17-23(18-20-24)32-22(2)3/h17-20,22,25-26H,4-16,21H2,1-3H3
InChIKey AZCWAFJFQRQFQS-UHFFFAOYSA-N
Molecular Weight 460.655 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)(OCCCCCCCCCCC)=O