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4-Iodo-1-mesityl-3,5-di(4-tolyl)-1H-pyrazole
SpectraBase Compound ID 3MaTUFmg0aD
InChI InChI=1S/C26H25IN2/c1-16-6-10-21(11-7-16)24-23(27)26(22-12-8-17(2)9-13-22)29(28-24)25-19(4)14-18(3)15-20(25)5/h6-15H,1-5H3
InChIKey DRGVOYQXTHXBJZ-UHFFFAOYSA-N
Mol Weight 492.4 g/mol
Molecular Formula C26H25IN2
Exact Mass 492.106244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpMBK7sKn0R
Name 4-Iodo-1-mesityl-3,5-di(4-tolyl)-1H-pyrazole
Appearance Yellowish-white solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25IN2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H25IN2/c1-16-6-10-21(11-7-16)24-23(27)26(22-12-8-17(2)9-13-22)29(28-24)25-19(4)14-18(3)15-20(25)5/h6-15H,1-5H3
InChIKey DRGVOYQXTHXBJZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 492.404 g/mol
Quality 211
Reported Formula C26H25IN2
SMILES C=1(I)C(=NN(C1C1=CC=C(C)C=C1)C1=C(C=C(C=C1C)C)C)C1=CC=C(C=C1)C
SPLASH splash10-0fr6-2135900000-9e7b00570a6ec751ee46
Source of Spectrum QE-21-SM50-3i (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.57 (hexane/EtOAc, 10:1)
Wiley ID 1907313