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1,3-bis(2,6-dimethylphenyl)-2-iodobenzene
SpectraBase Compound ID KzMA3GQf7zZ
InChI InChI=1S/C22H21I/c1-14-8-5-9-15(2)20(14)18-12-7-13-19(22(18)23)21-16(3)10-6-11-17(21)4/h5-13H,1-4H3
InChIKey NRSKVLSHRWJCKJ-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 A2rcIWCGBWn
Name 1,3-bis(2,6-dimethylphenyl)-2-iodobenzene
CAS Registry Number 129678-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21I
InChI InChI=1S/C22H21I/c1-14-8-5-9-15(2)20(14)18-12-7-13-19(22(18)23)21-16(3)10-6-11-17(21)4/h5-13H,1-4H3
InChIKey NRSKVLSHRWJCKJ-UHFFFAOYSA-N
Molecular Weight 412.314 g/mol
SMILES c1(c(c(-c2c(cccc2C)C)ccc1)I)-c1c(cccc1C)C
SPLASH splash10-03di-0020900000-eeb01fa88ab2c30b0f01
Source of Spectrum K-124-400-6
Synonyms 1,3-bis(2,6-dimethylphenyl)-2-iodanyl-benzene
Wiley ID 1374402