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1,3-bis(3,5-dimethylphenyl)iodobenzene
SpectraBase Compound ID D2h2WT2mfdt
InChI InChI=1S/C22H21I/c1-14-8-15(2)11-18(10-14)20-6-5-7-21(22(20)23)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3
InChIKey KDHSREHOVAAENH-UHFFFAOYSA-N
Mol Weight 412.31 g/mol
Molecular Formula C22H21I
Exact Mass 412.068796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ncJbKWdZ2W
Name 1,3-bis(3,5-dimethylphenyl)iodobenzene
CAS Registry Number 129678-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21I
InChI InChI=1S/C22H21I/c1-14-8-15(2)11-18(10-14)20-6-5-7-21(22(20)23)19-12-16(3)9-17(4)13-19/h5-13H,1-4H3
InChIKey KDHSREHOVAAENH-UHFFFAOYSA-N
Molecular Weight 412.314 g/mol
SMILES c1(c(-c2cc(C)cc(c2)C)cccc1-c1cc(C)cc(c1)C)I
SPLASH splash10-03k9-0090700000-18c696ef442527e035d9
Source of Spectrum K-124-401-6
Wiley ID 1374403