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12-BENZYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-CYClOOCTA-[E]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-11(12H)-ONE
SpectraBase Compound ID KcPcsThg0ft
InChI InChI=1S/C19H22N4OS/c1-25-18-20-19-22(13-14-9-5-4-6-10-14)17(24)15-11-7-2-3-8-12-16(15)23(19)21-18/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey HOHPDUZSICVXNN-UHFFFAOYSA-N
Mol Weight 354.47 g/mol
Molecular Formula C19H22N4OS
Exact Mass 354.151433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJaix0Flr7f
Name 12-BENZYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-CYClOOCTA-[E]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-11(12H)-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N4OS
InChI InChI=1S/C19H22N4OS/c1-25-18-20-19-22(13-14-9-5-4-6-10-14)17(24)15-11-7-2-3-8-12-16(15)23(19)21-18/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey HOHPDUZSICVXNN-UHFFFAOYSA-N
Literature Reference Author J.REITER,G.BERECZ,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,28,721(1991)
Literature Reference DOI 10.1002/jhet.5570280329
Molecular Weight 354.470 g/mol
Solvent CDCl3
Source File Reference UWCS19298