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

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5-Amino-4-benzyl-3-methylthio-1,2,4-triazole
SpectraBase Compound ID KBD4ROx78Kg
InChI InChI=1S/C10H12N4S/c1-15-10-13-12-9(11)14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)
InChIKey INKJDQIQHAAPSX-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C10H12N4S
Exact Mass 220.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zTITYd3LLR
Name 5-Amino-4-benzyl-3-methylthio-1,2,4-triazole
CAS Registry Number 88722-36-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12N4S
InChI InChI=1S/C10H12N4S/c1-15-10-13-12-9(11)14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)
InChIKey INKJDQIQHAAPSX-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