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5-CARBOETHOXYMETHYLAMIDO-3-METHYLTHIO-1H-1,2,4-TRIAZOLE

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5-CARBOETHOXYMETHYLAMIDO-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID D2eH4CybWSW
InChI InChI=1S/C8H12N4O3S/c1-3-15-6(14)4-5(13)9-7-10-8(16-2)12-11-7/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey QJMGFYRZPXVZNY-UHFFFAOYSA-N
Mol Weight 244.27 g/mol
Molecular Formula C8H12N4O3S
Exact Mass 244.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVYD5a1icch
Name 5-CARBOETHOXYMETHYLAMIDO-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N4O3S
InChI InChI=1S/C8H12N4O3S/c1-3-15-6(14)4-5(13)9-7-10-8(16-2)12-11-7/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey QJMGFYRZPXVZNY-UHFFFAOYSA-N
Literature Reference Author J.REITER,L.PONGO,P.DVORTSAK
Literature Reference Citation J.HETCYCL.CHEM.,24,127(1987)
Literature Reference DOI 10.1002/jhet.5570240126
Molecular Weight 244.268 g/mol
Solvent DMSO-D6
Source File Reference UWCS7838