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5-{[(2-pyridyl)thio]methyl}-4H-1,2,4-triazole-3-acetonitrile, 5-oxide
SpectraBase Compound ID 2t7WabHFMLp
InChI InChI=1S/C10H10N5OS/c11-5-4-8-12-9(14-13-8)7-17-10-3-1-2-6-15(10)16/h1-3,6,16H,4,7H2,(H,12,13,14)
InChIKey BTDMFVHCNSUMTQ-UHFFFAOYSA-N
Mol Weight 247.28 g/mol
Molecular Formula C10H9N5OS
Exact Mass 247.052781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B6RdvqdAZ88
Name 5-{[(2-PYRIDYL)THIO]METHYL}-4H-1,2,4-TRIAZOLE-3-ACETONITRILE, 5-OXIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N5OS
InChI InChI=1S/C10H10N5OS/c11-5-4-8-12-9(14-13-8)7-17-10-3-1-2-6-15(10)16/h1-3,6,16H,4,7H2,(H,12,13,14)
InChIKey BTDMFVHCNSUMTQ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 186-188C
Molecular Weight 247.28
Solvent DMSO-d6; Reference=TMS; Temperature 297K