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bis-[4-(4'-Iodobutyl)phenyl] methane
SpectraBase Compound ID 8cwbXjiQis5
InChI InChI=1S/C21H26I2/c22-15-3-1-5-18-7-11-20(12-8-18)17-21-13-9-19(10-14-21)6-2-4-16-23/h7-14H,1-6,15-17H2
InChIKey IGDLKNJLUSIFKX-UHFFFAOYSA-N
Mol Weight 532.25 g/mol
Molecular Formula C21H26I2
Exact Mass 532.012391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PHhGDJncbi
Name bis-[4-(4'-Iodobutyl)phenyl] methane
CAS Registry Number 140661-51-4
Comments Less than 3 mono-isotopic peaks
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Formula C21H26I2
InChI InChI=1S/C21H26I2/c22-15-3-1-5-18-7-11-20(12-8-18)17-21-13-9-19(10-14-21)6-2-4-16-23/h7-14H,1-6,15-17H2
InChIKey IGDLKNJLUSIFKX-UHFFFAOYSA-N
Molecular Weight 532.248 g/mol
SMILES c1(Cc2ccc(cc2)CCCCI)ccc(cc1)CCCCI
SPLASH splash10-001j-0005090000-6ca507feb5da17ef6c78
Source of Spectrum K-125-1681-6
Synonyms 1-(4-iodobutyl)-4-[4-(4-iodobutyl)benzyl]benzene
Wiley ID 1403538