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

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5-AMINO-4-(PARA-CHLOROBENZYL)-3-METHYLTHIO-1,2,4-TRIAZOLE
SpectraBase Compound ID BtGKFR2i3Fx
InChI InChI=1S/C10H11ClN4S/c1-16-10-14-13-9(12)15(10)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)
InChIKey JKJZAAYJHJXXGY-UHFFFAOYSA-N
Mol Weight 254.74 g/mol
Molecular Formula C10H11ClN4S
Exact Mass 254.039295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfsvcdvY4cs
Name 5-Amino-4-(4-chloro-benzyl)-3-methylthio-1,2,4-triazole
CAS Registry Number 87866-41-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H11ClN4S
InChI InChI=1S/C10H11ClN4S/c1-16-10-14-13-9(12)15(10)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H2,12,13)
InChIKey JKJZAAYJHJXXGY-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