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4-(benzyl)-2-(methylthio)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID ByVra0BZiCe
InChI InChI=1S/C17H18N4OS/c1-23-16-18-17-20(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(22)21(17)19-16/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey WTQPYZXBMCVXJK-UHFFFAOYSA-N
Mol Weight 326.42 g/mol
Molecular Formula C17H18N4OS
Exact Mass 326.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Q8d04NN24l
Name 4-(benzyl)-2-(methylthio)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Compound Number 3F/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4OS
InChI InChI=1S/C17H18N4OS/c1-23-16-18-17-20(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(22)21(17)19-16/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey WTQPYZXBMCVXJK-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,237(2001)
Literature Reference DOI 10.1002/jhet.5570380136
Molecular Weight 326.416 g/mol
Solvent CDCl3
Source File Reference UWLU21022