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4-Bromo-2',3'-dihexyl-2-(tetrahydropyran-2-yloxymethyl)-4'-todobiphenyl
SpectraBase Compound ID JDKJA0ylqZP
InChI InChI=1S/C30H42BrIO2/c1-3-5-7-9-13-23-21-29(32)24(14-10-8-6-4-2)20-28(23)27-17-16-26(31)19-25(27)22-34-30-15-11-12-18-33-30/h16-17,19-21,30H,3-15,18,22H2,1-2H3
InChIKey VZZBIBWVQDCFCT-UHFFFAOYSA-N
Mol Weight 641.5 g/mol
Molecular Formula C30H42BrIO2
Exact Mass 640.141289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOiirDQKD11
Name 4-Bromo-2',3'-dihexyl-2-(tetrahydropyran-2-yloxymethyl)-4'-todobiphenyl
Alternate Name(s) 4-Bromo-2',5'-dihexyl-2-(tetrahydropyran-2-yloxymethyl)-4'-iodobiphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42BrIO2
InChI InChI=1S/C30H42BrIO2/c1-3-5-7-9-13-23-21-29(32)24(14-10-8-6-4-2)20-28(23)27-17-16-26(31)19-25(27)22-34-30-15-11-12-18-33-30/h16-17,19-21,30H,3-15,18,22H2,1-2H3
InChIKey VZZBIBWVQDCFCT-UHFFFAOYSA-N
Molecular Weight 641.472 g/mol
SMILES c1(-c2c(cc(cc2)Br)COC2OCCCC2)cc(CCCCCC)c(cc1CCCCCC)I
SPLASH splash10-03dr-0000972000-8805fe4f608503cf1e9c
Source of Spectrum SO-0-1302-10
Wiley ID 875015