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4-Chloro-4'-iodo-3-(trifluoromethyl)-1,1'-biphenyl
SpectraBase Compound ID 66VEkBnQUBI
InChI InChI=1S/C13H7ClF3I/c14-12-6-3-9(7-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7H
InChIKey ASESVYFXLPBEAQ-UHFFFAOYSA-N
Mol Weight 382.55 g/mol
Molecular Formula C13H7ClF3I
Exact Mass 381.923307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D36FJH6b1kM
Name 4-Chloro-4'-iodo-3-(trifluoromethyl)-1,1'-biphenyl
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.923307414 u
Formula C13H7ClF3I
InChI InChI=1S/C13H7ClF3I/c14-12-6-3-9(7-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7H
InChIKey ASESVYFXLPBEAQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202005282
Molecular Weight 382.552 g/mol
Reported Formula C13H7ClF3I
SMILES C1(Cl)=C(C=C(C=C1)C1=CC=C(C=C1)I)C(F)(F)F
SPLASH splash10-001i-0039000000-fd7c032584476f278806
Source of Spectrum QE-27-SM24-2y (DOI: 10.1002/chem.202005282)
Thin-Layer Chromatography 0.5 (hexane, UV, KMnO4)
Wiley ID 1901962