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5-AMINO-3-METHYLTHIO-1-(2-NITRO-4-TRIFLUOROMETHYLPHENYL)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID LtUd002BrJe
InChI InChI=1S/C10H8F3N5O2S/c1-21-9-15-8(14)17(16-9)6-3-2-5(10(11,12)13)4-7(6)18(19)20/h2-4H,1H3,(H2,14,15,16)
InChIKey MSMUZKOKFKTAAD-UHFFFAOYSA-N
Mol Weight 319.26 g/mol
Molecular Formula C10H8F3N5O2S
Exact Mass 319.03508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqR9kTvZdZz
Name 5-AMINO-3-METHYLTHIO-1-(2-NITRO-4-TRIFLUOROMETHYLPHENYL)-1H-1,2,4-TRIAZOLE
Compound Number 8/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8F3N5O2S
InChI InChI=1S/C10H8F3N5O2S/c1-21-9-15-8(14)17(16-9)6-3-2-5(10(11,12)13)4-7(6)18(19)20/h2-4H,1H3,(H2,14,15,16)
InChIKey MSMUZKOKFKTAAD-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 319.261 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3023