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1,2-Cyclohexanedicarboxylic acid, 4-isopropyloxyphenyl pentyl diester
SpectraBase Compound ID Alf42c74A8G
InChI InChI=1S/C22H32O5/c1-4-5-8-15-25-21(23)19-9-6-7-10-20(19)22(24)27-18-13-11-17(12-14-18)26-16(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKey ODRZOHKJTMPLAW-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfYneo9UrMP
Name 1,2-Cyclohexanedicarboxylic acid, 4-isopropyloxyphenyl pentyl diester
Comments Computed using HOSE algorithm
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Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-4-5-8-15-25-21(23)19-9-6-7-10-20(19)22(24)27-18-13-11-17(12-14-18)26-16(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKey ODRZOHKJTMPLAW-UHFFFAOYSA-N
Molecular Weight 376.493 g/mol
SMILES CCCCCOC(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)=O