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Isophthalic acid, hexyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexyl 4-isopropylphenyl ester
SpectraBase Compound ID E8V2pt2r0S8
InChI InChI=1S/C23H28O4/c1-4-5-6-7-15-26-22(24)19-9-8-10-20(16-19)23(25)27-21-13-11-18(12-14-21)17(2)3/h8-14,16-17H,4-7,15H2,1-3H3
InChIKey UJYAMTJPEDBBJA-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Gf1Gi0BpRz
Name Isophthalic acid, hexyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-5-6-7-15-26-22(24)19-9-8-10-20(16-19)23(25)27-21-13-11-18(12-14-21)17(2)3/h8-14,16-17H,4-7,15H2,1-3H3
InChIKey UJYAMTJPEDBBJA-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O)C(C)C