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Terephthalic acid, 3,5-dimethylphenyl heptyl ester

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Terephthalic acid, 3,5-dimethylphenyl heptyl ester
SpectraBase Compound ID 5bmq4BeCsRx
InChI InChI=1S/C23H28O4/c1-4-5-6-7-8-13-26-22(24)19-9-11-20(12-10-19)23(25)27-21-15-17(2)14-18(3)16-21/h9-12,14-16H,4-8,13H2,1-3H3
InChIKey CRZSZUNXVXWBAL-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 4NX6Re060oS
Name Terephthalic acid, 3,5-dimethylphenyl heptyl 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/c1-4-5-6-7-8-13-26-22(24)19-9-11-20(12-10-19)23(25)27-21-15-17(2)14-18(3)16-21/h9-12,14-16H,4-8,13H2,1-3H3
InChIKey CRZSZUNXVXWBAL-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCC)=O)C(OC1=CC(=CC(=C1)C)C)=O