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1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl pentyl ester
SpectraBase Compound ID DRqPyYmxx0k
InChI InChI=1S/C22H32O4/c1-4-5-8-15-25-21(23)19-9-6-7-10-20(19)22(24)26-18-13-11-17(12-14-18)16(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKey ZMUSWWIRYNGVBR-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0fQ7tyv1La
Name 1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-5-8-15-25-21(23)19-9-6-7-10-20(19)22(24)26-18-13-11-17(12-14-18)16(2)3/h11-14,16,19-20H,4-10,15H2,1-3H3
InChIKey ZMUSWWIRYNGVBR-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1=C(C=CC(=C1)C(C)C)OC(C1CCCCC1C(OCCCCC)=O)=O