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5-(N-ACETYL-N-BENZYLAMINO)-1-BENZYL-3-METHYLTHIO-1H-1,2,4-TRIAZOLE

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5-(N-ACETYL-N-BENZYLAMINO)-1-BENZYL-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID Dk6fnQ54UK6
InChI InChI=1S/C19H20N4OS/c1-15(24)22(13-16-9-5-3-6-10-16)19-20-18(25-2)21-23(19)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKey OWDXKTACIRPSGQ-UHFFFAOYSA-N
Mol Weight 352.46 g/mol
Molecular Formula C19H20N4OS
Exact Mass 352.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcOjEjZftT1
Name 5-(N-ACETYL-N-BENZYLAMINO)-1-BENZYL-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N4OS
InChI InChI=1S/C19H20N4OS/c1-15(24)22(13-16-9-5-3-6-10-16)19-20-18(25-2)21-23(19)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKey OWDXKTACIRPSGQ-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 352.454 g/mol
Solvent DMSO-D6
Source File Reference UWCS7850