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1,2-Cyclohexanedicarboxylic acid, isohexyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isohexyl 3-phenylpropyl ester
SpectraBase Compound ID 1ow0okK5zVT
InChI InChI=1S/C23H34O4/c1-18(2)10-8-16-26-22(24)20-14-6-7-15-21(20)23(25)27-17-9-13-19-11-4-3-5-12-19/h3-5,11-12,18,20-21H,6-10,13-17H2,1-2H3
InChIKey FGNSYVCEACGATI-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWbp38TXiCJ
Name 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-18(2)10-8-16-26-22(24)20-14-6-7-15-21(20)23(25)27-17-9-13-19-11-4-3-5-12-19/h3-5,11-12,18,20-21H,6-10,13-17H2,1-2H3
InChIKey FGNSYVCEACGATI-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1(=CC=CC=C1)CCCOC(C1CCCCC1C(OCCCC(C)C)=O)=O