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5-AMINO-3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE

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5-AMINO-3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 7wI0W9c14iW
InChI InChI=1S/C9H8ClN5O2S/c1-18-9-12-8(11)14(13-9)6-3-2-5(10)4-7(6)15(16)17/h2-4H,1H3,(H2,11,12,13)
InChIKey GUBAPTBUSQFDIS-UHFFFAOYSA-N
Mol Weight 285.71 g/mol
Molecular Formula C9H8ClN5O2S
Exact Mass 285.008723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mS1fUHEOWd
Name 5-AMINO-3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE
Compound Number 8/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8ClN5O2S
InChI InChI=1S/C9H8ClN5O2S/c1-18-9-12-8(11)14(13-9)6-3-2-5(10)4-7(6)15(16)17/h2-4H,1H3,(H2,11,12,13)
InChIKey GUBAPTBUSQFDIS-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 285.708 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3022