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5-Amino-3-methylthio-1-phenyl-1,2,4-triazole

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5-Amino-3-methylthio-1-phenyl-1,2,4-triazole
SpectraBase Compound ID AVtZ2g9TKj
InChI InChI=1S/C9H10N4S/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKey BBKFWNMLFVXYLO-UHFFFAOYSA-N
Mol Weight 206.27 g/mol
Molecular Formula C9H10N4S
Exact Mass 206.062618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwtJT5bXdEW
Name 5-Amino-3-methylthio-1-phenyl-1,2,4-triazole
CAS Registry Number 82117-98-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10N4S
InChI InChI=1S/C9H10N4S/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKey BBKFWNMLFVXYLO-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P. Dvortsak, J. Reiter, T. Somorai, P.Sohar, Magn. Res. Chem. 23, 194 (1985).
NMR Standard TMS-PRSO3 Na
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6