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5-Amino-1-(2-[2,6-dichloro-phenoxy]-ethyl)-3-methylthio-1,2,4-triazole

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5-Amino-1-(2-[2,6-dichloro-phenoxy]-ethyl)-3-methylthio-1,2,4-triazole
SpectraBase Compound ID SPLRkLIKfT
InChI InChI=1S/C11H12Cl2N4OS/c1-19-11-15-10(14)17(16-11)5-6-18-9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKey MXBHECFTVCQWSE-UHFFFAOYSA-N
Mol Weight 319.21 g/mol
Molecular Formula C11H12Cl2N4OS
Exact Mass 318.010888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62ptWrMmmBO
Name 5-Amino-1-(2-[2,6-dichloro-phenoxy]-ethyl)-3-methylthio-1,2,4-triazole
CAS Registry Number 84827-90-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12Cl2N4OS
InChI InChI=1S/C11H12Cl2N4OS/c1-19-11-15-10(14)17(16-11)5-6-18-9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKey MXBHECFTVCQWSE-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