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5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid]

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid]
SpectraBase Compound ID LCIgXONynlw
InChI InChI=1S/C26H34O6/c1-25(2,23(27)28)15-5-17-31-21-11-7-19(8-12-21)20-9-13-22(14-10-20)32-18-6-16-26(3,4)24(29)30/h7-14H,5-6,15-18H2,1-4H3,(H,27,28)(H,29,30)
InChIKey FJCZJUUEWDDUCD-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lr5UMNNcG0
Name 5,5'-(4,4'-Biphenylylenedioxy)bis[2,2-dimethylvaleric acid]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.235538809 u
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-25(2,23(27)28)15-5-17-31-21-11-7-19(8-12-21)20-9-13-22(14-10-20)32-18-6-16-26(3,4)24(29)30/h7-14H,5-6,15-18H2,1-4H3,(H,27,28)(H,29,30)
InChIKey FJCZJUUEWDDUCD-UHFFFAOYSA-N
Molecular Weight 442.552 g/mol
SMILES OC(C(CCCOC1=CC=C(C=2C=CC(OCCCC(C(O)=O)(C)C)=CC2)C=C1)(C)C)=O