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2-[4-PHENYL-1H-1,2,4-TRIAZOLE-5-THIONE-3-YL-(METHYLENE)]-6,7,8,9-TETRAHYDRO-5H-[1,2,4]-TRIAZOLO-[1,5-A]-AZEPINE
SpectraBase Compound ID 1pzeGIvVgLS
InChI InChI=1S/C16H18N6S/c23-16-19-18-15(22(16)12-7-3-1-4-8-12)11-13-17-14-9-5-2-6-10-21(14)20-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,23)
InChIKey HEEXXILMASDUHC-UHFFFAOYSA-N
Mol Weight 326.42 g/mol
Molecular Formula C16H18N6S
Exact Mass 326.131366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UQakcxJt46
Name 2-[4-PHENYL-1H-1,2,4-TRIAZOLE-5-THIONE-3-YL-(METHYLENE)]-6,7,8,9-TETRAHYDRO-5H-[1,2,4]-TRIAZOLO-[1,5-A]-AZEPINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N6S
InChI InChI=1S/C16H18N6S/c23-16-19-18-15(22(16)12-7-3-1-4-8-12)11-13-17-14-9-5-2-6-10-21(14)20-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,23)
InChIKey HEEXXILMASDUHC-UHFFFAOYSA-N
Literature Reference Author Y.A.AL-SOUD,N.A.AL-MASOUDI,A.EL-RAHMAN,S.FERWANAH
Literature Reference Citation BIOORG.MED.CHEM.,11,1701(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00043-9
Molecular Weight 326.419 g/mol
Sample ID 29124
Solvent DMSO-D6