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Isophthalic acid, 2-biphenyl butyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-biphenyl butyl ester
SpectraBase Compound ID gUmTKTgKtR
InChI InChI=1S/C24H22O4/c1-2-3-16-27-23(25)19-12-9-13-20(17-19)24(26)28-22-15-8-7-14-21(22)18-10-5-4-6-11-18/h4-15,17H,2-3,16H2,1H3
InChIKey DVFPWSYXDZJVJV-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGfzX6KgKjo
Name Isophthalic acid, 2-biphenyl butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.151809184 u
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-2-3-16-27-23(25)19-12-9-13-20(17-19)24(26)28-22-15-8-7-14-21(22)18-10-5-4-6-11-18/h4-15,17H,2-3,16H2,1H3
InChIKey DVFPWSYXDZJVJV-UHFFFAOYSA-N
Molecular Weight 374.436 g/mol
SMILES C1=CC=C(C=C1)C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCC)=O)=O