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2-Iodo-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
SpectraBase Compound ID DcJNxDQgCg
InChI InChI=1S/C14H7F6I/c15-13(16,17)9-3-1-8(2-4-9)11-6-5-10(7-12(11)21)14(18,19)20/h1-7H
InChIKey ZIJUOGYXUMUNGE-UHFFFAOYSA-N
Mol Weight 416.1 g/mol
Molecular Formula C14H7F6I
Exact Mass 415.949664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFXE3GemIuA
Name 2-Iodo-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.949664203 u
Formula C14H7F6I
InChI InChI=1S/C14H7F6I/c15-13(16,17)9-3-1-8(2-4-9)11-6-5-10(7-12(11)21)14(18,19)20/h1-7H
InChIKey ZIJUOGYXUMUNGE-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803603
Molecular Weight 416.105 g/mol
Quality 19
SMILES C=1C(=CC(I)=C(C=2C=CC(=CC2)C(F)(F)F)C1)C(F)(F)F
SPLASH splash10-014i-0090600000-32d2f1ff42922d2d5723
Source of Spectrum ACI-57-SM8-1h (DOI: 10.1002/anie.201803603)
Wiley ID 1893085