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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester
SpectraBase Compound ID 2UDsJjnGu49
InChI InChI=1S/C22H32O4/c1-4-5-10-15-25-21(23)18-12-6-7-13-19(18)22(24)26-20-14-9-8-11-17(20)16(2)3/h8-9,11,14,16,18-19H,4-7,10,12-13,15H2,1-3H3
InChIKey ZVDRJDSQNYINOB-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 8r1oSWtX7If
Name 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-5-10-15-25-21(23)18-12-6-7-13-19(18)22(24)26-20-14-9-8-11-17(20)16(2)3/h8-9,11,14,16,18-19H,4-7,10,12-13,15H2,1-3H3
InChIKey ZVDRJDSQNYINOB-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=C(C=CC=C1)C(C)C)C(OCCCCC)=O