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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, octyl 4-isopropyloxyphenyl diester
SpectraBase Compound ID FDNFDy1DPiT
InChI InChI=1S/C25H38O5/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)30-21-16-14-20(15-17-21)29-19(2)3/h14-17,19,22-23H,4-13,18H2,1-3H3
InChIKey QNIXCWFMLUYQQH-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 650bIN0uE0O
Name 1,2-Cyclohexanedicarboxylic acid, octyl 4-isopropyloxyphenyl diester
Comments Computed using HOSE algorithm
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Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)30-21-16-14-20(15-17-21)29-19(2)3/h14-17,19,22-23H,4-13,18H2,1-3H3
InChIKey QNIXCWFMLUYQQH-UHFFFAOYSA-N
Molecular Weight 418.574 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)(OCCCCCCCC)=O