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acetamide, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]-
SpectraBase Compound ID J0rc7dQUvPi
InChI InChI=1S/C12H11ClF3N5OS/c1-6-19-20-11(21(6)17)23-5-10(22)18-9-4-7(12(14,15)16)2-3-8(9)13/h2-4H,5,17H2,1H3,(H,18,22)
InChIKey QVFMMUPRHKPXMC-UHFFFAOYSA-N
Mol Weight 365.76 g/mol
Molecular Formula C12H11ClF3N5OS
Exact Mass 365.032493 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DPfjY8bqRiq
Name acetamide, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.032493356 u
Formula C12H11ClF3N5OS
InChI InChI=1S/C12H11ClF3N5OS/c1-6-19-20-11(21(6)17)23-5-10(22)18-9-4-7(12(14,15)16)2-3-8(9)13/h2-4H,5,17H2,1H3,(H,18,22)
InChIKey QVFMMUPRHKPXMC-UHFFFAOYSA-N
Molecular Weight 365.762 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2086
Solvent DMSO-d6
Source Vendor ID: NMR/13231362; Lab Info: L-42,Shitov; Lab Number: L42-0000017