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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XRAwXlY5YF
Name 4"-Bromo-5'-hexyloxymethyl-4-iodo[1,1';3',1"']terphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1(cc(-c2ccc(cc2)Br)cc(c1)COCCCCCC)-c1ccc(cc1)I
SPLASH splash10-0002-0052980000-1443d0b1c074ae4a57a0
Source of Spectrum SO-20-445-13
Synonyms 1-(4-bromophenyl)-3-[(hexyloxy)methyl]-5-(4-iodophenyl)benzene 4''-Bromo-5'-hexyloxymethyl-4-iodo[1,1';3',1''']terphenyl
Wiley ID 877484