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4-Iodo-3,5-diphenyl-1H-pyrazole
SpectraBase Compound ID IEDGXRUr9UA
InChI InChI=1S/C15H11IN2/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H,(H,17,18)
InChIKey IUNJRZKZRLTLPT-UHFFFAOYSA-N
Mol Weight 346.17 g/mol
Molecular Formula C15H11IN2
Exact Mass 345.996693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMX36b32nyt
Name 4-Iodo-3,5-diphenyl-1H-pyrazole
Appearance White solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.996693362 u
Formula C15H11IN2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H11IN2/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H,(H,17,18)
InChIKey IUNJRZKZRLTLPT-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 346.171 g/mol
Quality 149
SMILES N1C(=C(C(=N1)C1=CC=CC=C1)I)C1=CC=CC=C1
SPLASH splash10-0002-0409000000-0a6073b1ea1269565a7f
Source of Spectrum QE-21-SM12-1g (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.23 (hexane/EtOAc, 4:1)
Wiley ID 1907296