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2-(4-Amino-5-trifluoromethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,6-dichloro-phenyl)-acetamide
SpectraBase Compound ID E7zCYNkojIj
InChI InChI=1S/C11H8Cl2F3N5OS/c12-5-2-1-3-6(13)8(5)18-7(22)4-23-10-20-19-9(21(10)17)11(14,15)16/h1-3H,4,17H2,(H,18,22)
InChIKey NCLLVVMBJQSJGV-UHFFFAOYSA-N
Mol Weight 386.18 g/mol
Molecular Formula C11H8Cl2F3N5OS
Exact Mass 384.977871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KezpyTcUvTn
Name acetamide, 2-[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,6-dichlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.977870960 u
Formula C11H8Cl2F3N5OS
InChI InChI=1S/C11H8Cl2F3N5OS/c12-5-2-1-3-6(13)8(5)18-7(22)4-23-10-20-19-9(21(10)17)11(14,15)16/h1-3H,4,17H2,(H,18,22)
InChIKey NCLLVVMBJQSJGV-UHFFFAOYSA-N
Molecular Weight 386.180 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16217
Solvent DMSO-d6
Source Vendor ID: NMR/10321078; Lab Info: DEM; Lab Number: DEM-0000198