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5-(4-Iodophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
SpectraBase Compound ID 1NHX5CRRw2G
InChI InChI=1S/C16H10F3IN2/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)22(21-15)13-4-2-1-3-5-13/h1-10H
InChIKey SDGRWZBKNXXXBC-UHFFFAOYSA-N
Mol Weight 414.17 g/mol
Molecular Formula C16H10F3IN2
Exact Mass 413.984078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3zJ2otW1vW
Name 5-(4-Iodophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F3IN2
InChI InChI=1S/C16H10F3IN2/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)22(21-15)13-4-2-1-3-5-13/h1-10H
InChIKey SDGRWZBKNXXXBC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01280a
Molecular Weight 414.170 g/mol
SMILES c1c(n[n](c1-c1ccc(cc1)I)-c1ccccc1)C(F)(F)F
SPLASH splash10-03di-1120900000-a535c8fd5e06f70fcb7f
Source of Spectrum KD-50-4361/SMS9-3g
Wiley ID 1754549