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5-AMINO-1-(PARA-METHYLBENZYL)-3-METHYLTHIO-1,2,4-TRIAZOLE

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5-AMINO-1-(PARA-METHYLBENZYL)-3-METHYLTHIO-1,2,4-TRIAZOLE
SpectraBase Compound ID 6byoL09Siae
InChI InChI=1S/C11H14N4S/c1-8-3-5-9(6-4-8)7-15-10(12)13-11(14-15)16-2/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKey MLYFMBOBVSQKSX-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C11H14N4S
Exact Mass 234.093918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Guy620bUKao
Name 5-Amino-1-(4-methyl-benzyl)-3-methylthio-1,2,4-triazole
CAS Registry Number 84827-86-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14N4S
InChI InChI=1S/C11H14N4S/c1-8-3-5-9(6-4-8)7-15-10(12)13-11(14-15)16-2/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKey MLYFMBOBVSQKSX-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
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3