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3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID JiILwUh5Bij
InChI InChI=1S/C14H9Cl2F3N6O2S/c1-23-10(5-24-6-20-11(15)12(24)16)21-22-13(23)28-9-3-2-7(14(17,18)19)4-8(9)25(26)27/h2-4,6H,5H2,1H3
InChIKey KKQRZXMKESTLGE-UHFFFAOYSA-N
Mol Weight 453.23 g/mol
Molecular Formula C14H9Cl2F3N6O2S
Exact Mass 451.983685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FaYvRuxRNFW
Name 3-[(4,5-DICHLOROIMIDAZOL-1-YL)METHYL]-4-METHYL-5-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)THIO]-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9Cl2F3N6O2S
InChI InChI=1S/C14H9Cl2F3N6O2S/c1-23-10(5-24-6-20-11(15)12(24)16)21-22-13(23)28-9-3-2-7(14(17,18)19)4-8(9)25(26)27/h2-4,6H,5H2,1H3
InChIKey KKQRZXMKESTLGE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 453.23
Solvent DMSO-d6; Reference=TMS; Temperature 297K