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3,5-bis(4-chlorophenyl)-1-(2-iodophenyl)-1H-pyrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,5-bis(4-chlorophenyl)-1-(2-iodophenyl)-1H-pyrazole
SpectraBase Compound ID EGCkz4k776Y
InChI InChI=1S/C21H13Cl2IN2/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(23)12-8-15)26(25-19)20-4-2-1-3-18(20)24/h1-13H
InChIKey AZFNSKOXEIJOIB-UHFFFAOYSA-N
Mol Weight 491.16 g/mol
Molecular Formula C21H13Cl2IN2
Exact Mass 489.950049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZPRnPOGrhC
Name 3,5-bis(4-Chlorophenyl)-1-(2-iodophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.950048827 u
Formula C21H13Cl2IN2
InChI InChI=1S/C21H13Cl2IN2/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(23)12-8-15)26(25-19)20-4-2-1-3-18(20)24/h1-13H
InChIKey AZFNSKOXEIJOIB-UHFFFAOYSA-N
Molecular Weight 491.159 g/mol
SMILES C=1C=CC(N2N=C(C=3C=CC(=CC3)Cl)C=C2C=2C=CC(=CC2)Cl)=C(I)C1