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3-Methylthio-5-piperonylamino-1,2,4-triazole

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3-Methylthio-5-piperonylamino-1,2,4-triazole
SpectraBase Compound ID 5imDpL4ozxe
InChI InChI=1S/C11H12N4O2S/c1-18-11-13-10(14-15-11)12-5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,13,14,15)
InChIKey WHCORDSCRFULEB-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 IjF7iaLfYdd
Name 3-Methylthio-5-piperonylamino-1,2,4-triazole
CAS Registry Number 99492-89-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12N4O2S
InChI InChI=1S/C11H12N4O2S/c1-18-11-13-10(14-15-11)12-5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,13,14,15)
InChIKey WHCORDSCRFULEB-UHFFFAOYSA-N
Instrument Name Bruker WM-250
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