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1-[DIPHENYL(m-IODOPHENYL)METHYL]-1H-1,2,4-TRIAZOLE

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1-[DIPHENYL(m-IODOPHENYL)METHYL]-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID JIDPAM2DIY3
InChI InChI=1S/C21H16IN3/c22-20-13-7-12-19(14-20)21(25-16-23-15-24-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKey NGOKQZKBYVRJLZ-UHFFFAOYSA-N
Mol Weight 437.28 g/mol
Molecular Formula C21H16IN3
Exact Mass 437.038893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PPChhSRivI
Name 1-[DIPHENYL(m-IODOPHENYL)METHYL]-1H-1,2,4-TRIAZOLE
Source of Sample K. H. Buchel, Bayer AG, Wuppertal, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16IN3
InChI InChI=1S/C21H16IN3/c22-20-13-7-12-19(14-20)21(25-16-23-15-24-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKey NGOKQZKBYVRJLZ-UHFFFAOYSA-N
Melting Point 110-112C
Molecular Weight 437.28
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLE, 1H-1,2,4-, 1-/DIPHENYL/M-IODOPHENYL/METHYL/-,