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1-PHENYL-5-BENZYLAMINO-3-METHYLTHIO-1-H-1,2,4-TRIAZOLE

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1-PHENYL-5-BENZYLAMINO-3-METHYLTHIO-1-H-1,2,4-TRIAZOLE
SpectraBase Compound ID 40NAvce0rEH
InChI InChI=1S/C16H16N4S/c1-21-16-18-15(17-12-13-8-4-2-5-9-13)20(19-16)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18,19)
InChIKey VPCSGIHCSMVNIC-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2h41eW0rgtL
Name 1-PHENYL-5-BENZYLAMINO-3-METHYLTHIO-1-H-1,2,4-TRIAZOLE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c1-21-16-18-15(17-12-13-8-4-2-5-9-13)20(19-16)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,18,19)
InChIKey VPCSGIHCSMVNIC-UHFFFAOYSA-N
Literature Reference Author L.PONGO,J.REITER,J.BARKOCZY,P.SOHAR,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,27,1249(1990)
Literature Reference DOI 10.1002/jhet.5570270516
Molecular Weight 296.390 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1085