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Terephthalic acid, isohexyl 4-isopropylphenyl ester

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Terephthalic acid, isohexyl 4-isopropylphenyl ester
SpectraBase Compound ID BZImsY5fQmN
InChI InChI=1S/C23H28O4/c1-16(2)6-5-15-26-22(24)19-7-9-20(10-8-19)23(25)27-21-13-11-18(12-14-21)17(3)4/h7-14,16-17H,5-6,15H2,1-4H3
InChIKey GNNBRLMLKKNCSR-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 2oE8XWdQoXG
Name Terephthalic acid, isohexyl 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/c1-16(2)6-5-15-26-22(24)19-7-9-20(10-8-19)23(25)27-21-13-11-18(12-14-21)17(3)4/h7-14,16-17H,5-6,15H2,1-4H3
InChIKey GNNBRLMLKKNCSR-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OC1=CC=C(C=C1)C(C)C)=O