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4-Iodo-1,2,5-tri-(4-tolyl)-1H-pyrazole
SpectraBase Compound ID FfcD3zCALk5
InChI InChI=1S/C24H21IN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey JDZAOHOBAZQWAG-UHFFFAOYSA-N
Mol Weight 464.35 g/mol
Molecular Formula C24H21IN2
Exact Mass 464.074944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Fla55jPuh
Name 4-Iodo-1,2,5-tri-(4-tolyl)-1H-pyrazole
Appearance Yellowish-white solid
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.074943684 u
Formula C24H21IN2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C24H21IN2/c1-16-4-10-19(11-5-16)23-22(25)24(20-12-6-17(2)7-13-20)27(26-23)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey JDZAOHOBAZQWAG-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 464.350 g/mol
Quality 181
Reported Formula C24H21IN2
SMILES C1(=NN(C(=C1I)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C
SPLASH splash10-0j4i-3131900000-2f09bb36d51b32fc2bdf
Source of Spectrum QE-21-SM61-3ae (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.53 (hexane/EtOAc, 10:1)
Wiley ID 1907305