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5-Amino-1-cyanomethyl-3-methylthio-1,2,4-triazole
SpectraBase Compound ID 8o7Q6udFSqO
InChI InChI=1S/C5H7N5S/c1-11-5-8-4(7)10(9-5)3-2-6/h3H2,1H3,(H2,7,8,9)
InChIKey ARCWZPLIGROBPE-UHFFFAOYSA-N
Mol Weight 169.21 g/mol
Molecular Formula C5H7N5S
Exact Mass 169.042216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gvi0DARnSA3
Name 5-Amino-1-cyanomethyl-3-methylthio-1,2,4-triazole
CAS Registry Number 88722-39-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H7N5S
InChI InChI=1S/C5H7N5S/c1-11-5-8-4(7)10(9-5)3-2-6/h3H2,1H3,(H2,7,8,9)
InChIKey ARCWZPLIGROBPE-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