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5,5'-di-Butyl-2,2',2'',5''-tetrahydroxy-1,1':3',1''-terphenyl

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5,5'-di-Butyl-2,2',2'',5''-tetrahydroxy-1,1':3',1''-terphenyl
SpectraBase Compound ID FN0ItVZ85Ly
InChI InChI=1S/C26H30O4/c1-3-5-7-17-9-11-24(28)20(13-17)22-14-18(8-6-4-2)15-23(26(22)30)21-16-19(27)10-12-25(21)29/h9-16,27-30H,3-8H2,1-2H3
InChIKey ZHNGOSBQLXWTED-UHFFFAOYSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7109I9vOVmM
Name 5,5'-di-Butyl-2,2',2'',5''-tetrahydroxy-1,1':3',1''-terphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.214409442 u
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-3-5-7-17-9-11-24(28)20(13-17)22-14-18(8-6-4-2)15-23(26(22)30)21-16-19(27)10-12-25(21)29/h9-16,27-30H,3-8H2,1-2H3
InChIKey ZHNGOSBQLXWTED-UHFFFAOYSA-N
Molecular Weight 406.522 g/mol
SMILES C=1(C(=C(C=2C(=CC=C(C2)O)O)C=C(C1)CCCC)O)C=1C(=CC=C(C1)CCCC)O