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1,2,4-Thiadiazole
SpectraBase Compound ID 58laswcXKUo
InChI InChI=1S/C2H2N2S/c1-3-2-5-4-1/h1-2H
InChIKey YGTAZGSLCXNBQL-UHFFFAOYSA-N
Mol Weight 86.11 g/mol
Molecular Formula C2H2N2S
Exact Mass 85.993869 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
On the accuracy of the GIAO-DFT calculation of15N NMR chemical shifts of the nitrogen-containing heterocycles - a gateway to better agreement with experiment at lower computational cost Magnetic Resonance in Chemistry 2014

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