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

View entire compound with spectra: 2 NMR

5-Amino-3-methylthio-2-piperonyl-1,2,4-triazole
SpectraBase Compound ID DGIgJqGFveX
InChI InChI=1S/C11H12N4O2S/c1-18-11-13-10(12)14-15(11)5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,14)
InChIKey IBNKNUOABVXOTK-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C11H12N4O2S
Exact Mass 264.068097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnaHYwaaE6F
Name 5-Amino-3-methylthio-2-piperonyl-1,2,4-triazole
CAS Registry Number 88722-58-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12N4O2S
InChI InChI=1S/C11H12N4O2S/c1-18-11-13-10(12)14-15(11)5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,14)
InChIKey IBNKNUOABVXOTK-UHFFFAOYSA-N
Instrument Name Bruker WP-80
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