John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4w32Vm8vCjz SpectraBase Spectrum ID=9QL7zhv0ykK

(accessed ).
11-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5-ONE
SpectraBase Compound ID 4w32Vm8vCjz
InChI InChI=1S/C18H20N4OS/c1-24-17-19-18-21(12-13-8-4-2-5-9-13)16(23)14-10-6-3-7-11-15(14)22(18)20-17/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey NSQSHGSKBWAITJ-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QL7zhv0ykK
Name 11-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4OS
InChI InChI=1S/C18H20N4OS/c1-24-17-19-18-21(12-13-8-4-2-5-9-13)16(23)14-10-6-3-7-11-15(14)22(18)20-17/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey NSQSHGSKBWAITJ-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 340.443 g/mol
Solvent CDCl3
Source File Reference UWCS19290
SpectraBase Batch ID 80JIGlDFTVS