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1-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-N-(2-(3,4-DIMETHOXYPHENYL)-ETHYL)-THIOAMIDE

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1-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-N-(2-(3,4-DIMETHOXYPHENYL)-ETHYL)-THIOAMIDE
SpectraBase Compound ID EnOdcB2xdtM
InChI InChI=1S/C14H19N5O2S2/c1-20-10-5-4-9(8-11(10)21-2)6-7-16-14(22)19-12(15)17-13(18-19)23-3/h4-5,8H,6-7H2,1-3H3,(H,16,22)(H2,15,17,18)
InChIKey UIDIQFYMNVOKEQ-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C14H19N5O2S2
Exact Mass 353.098017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7NXLEdEjRF
Name 1-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-N-(2-(3,4-DIMETHOXYPHENYL)-ETHYL)-THIOAMIDE
Compound Number 3/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N5O2S2
InChI InChI=1S/C14H19N5O2S2/c1-20-10-5-4-9(8-11(10)21-2)6-7-16-14(22)19-12(15)17-13(18-19)23-3/h4-5,8H,6-7H2,1-3H3,(H,16,22)(H2,15,17,18)
InChIKey UIDIQFYMNVOKEQ-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,28,1597(1991)
Literature Reference DOI 10.1002/jhet.5570280624
Molecular Weight 353.457 g/mol
Solvent CDCl3
Source File Reference UWCP3717