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4"-Bromo-5'-hexyloxymethyl-4-iodo[1,1';3',1"']terphenyl

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

4"-Bromo-5'-hexyloxymethyl-4-iodo[1,1';3',1"']terphenyl
SpectraBase Compound ID CRgTiNK7dvE
InChI InChI=1S/C25H26BrIO/c1-2-3-4-5-14-28-18-19-15-22(20-6-10-24(26)11-7-20)17-23(16-19)21-8-12-25(27)13-9-21/h6-13,15-17H,2-5,14,18H2,1H3
InChIKey JKKTUTPWAPHWQJ-UHFFFAOYSA-N
Mol Weight 549.29 g/mol
Molecular Formula C25H26BrIO
Exact Mass 548.021173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C74tNNxltuA
Name 4''-Bromo-5'-hexyloxymethyl-4-iodo[1,1';3',1''']terphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.021173456 u
Formula C25H26BrIO
InChI InChI=1S/C25H26BrIO/c1-2-3-4-5-14-28-18-19-15-22(20-6-10-24(26)11-7-20)17-23(16-19)21-8-12-25(27)13-9-21/h6-13,15-17H,2-5,14,18H2,1H3
InChIKey JKKTUTPWAPHWQJ-UHFFFAOYSA-N
Molecular Weight 549.290 g/mol
SMILES C=1(C=C(C=2C=CC(=CC2)Br)C=C(C1)COCCCCCC)C1=CC=C(C=C1)I