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Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-
SpectraBase Compound ID 53CJMiL5pHP
InChI InChI=1S/C22H37I/c1-15-16(12-20(2,3)4)11-17(13-21(5,6)7)19(23)18(15)14-22(8,9)10/h11H,12-14H2,1-10H3
InChIKey USTXXEHEEGDJAG-UHFFFAOYSA-N
Mol Weight 428.4 g/mol
Molecular Formula C22H37I
Exact Mass 428.193996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rCTjROMPNV
Name Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-
CAS Registry Number 41080-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37I
InChI InChI=1S/C22H37I/c1-15-16(12-20(2,3)4)11-17(13-21(5,6)7)19(23)18(15)14-22(8,9)10/h11H,12-14H2,1-10H3
InChIKey USTXXEHEEGDJAG-UHFFFAOYSA-N
Molecular Weight 428.442 g/mol
SMILES Cc1c(cc(CC(C)(C)C)c(c1CC(C)(C)C)I)CC(C)(C)C
SPLASH splash10-0adl-9323100000-3d7a1b758c931e9cb5c5
Source of Spectrum EP-6518-0-0
Synonyms 2-Iodo-4-methyl-1,3,5-trineopentylbenzene 1,3,5-tris(2,2-dimethylpropyl)-2-iodanyl-4-methyl-benzene 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-benzene 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methylbenzene
Wiley ID 1380656