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4H-1,2,4-triazol-4-amine, 3-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-(trifluoromethyl)-
SpectraBase Compound ID 40B0Oev3GV6
InChI InChI=1S/C9H10F3N7O2S/c1-4-6(19(20)21)5(2)17(16-4)3-22-8-15-14-7(18(8)13)9(10,11)12/h3,13H2,1-2H3
InChIKey MDOIOAOFYZLKCH-UHFFFAOYSA-N
Mol Weight 337.28 g/mol
Molecular Formula C9H10F3N7O2S
Exact Mass 337.056878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0WT4Q5iSPB
Name 4H-1,2,4-triazol-4-amine, 3-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-5-(trifluoromethyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H10F3N7O2S/c1-4-6(19(20)21)5(2)17(16-4)3-22-8-15-14-7(18(8)13)9(10,11)12/h3,13H2,1-2H3
InChIKey MDOIOAOFYZLKCH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6754
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: R00389; Labnumber: RIBS-10389