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Terephthalic acid, hexyl 4-isopropylphenyl ester

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Terephthalic acid, hexyl 4-isopropylphenyl ester
SpectraBase Compound ID 5qgZETmgBBX
InChI InChI=1S/C23H28O4/c1-4-5-6-7-16-26-22(24)19-8-10-20(11-9-19)23(25)27-21-14-12-18(13-15-21)17(2)3/h8-15,17H,4-7,16H2,1-3H3
InChIKey SMAAZWULFZMTSM-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 7a3NAvbiVPk
Name Terephthalic 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/c1-4-5-6-7-16-26-22(24)19-8-10-20(11-9-19)23(25)27-21-14-12-18(13-15-21)17(2)3/h8-15,17H,4-7,16H2,1-3H3
InChIKey SMAAZWULFZMTSM-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCC)=O)C(OC1=CC=C(C=C1)C(C)C)=O