John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FTuH9uNicQA SpectraBase Spectrum ID=102GXjBnck

(accessed ).
IYWHJJGCBJAJRG-UHFFFAOYSA-N
SpectraBase Compound ID FTuH9uNicQA
InChI InChI=1S/C23H30N4OS/c1-29-23-25-27-21(28)19-15-11-6-4-2-3-5-7-12-16-20(19)24-22(27)26(23)17-18-13-9-8-10-14-18/h8-10,13-14H,2-7,11-12,15-17H2,1H3
InChIKey IYWHJJGCBJAJRG-UHFFFAOYSA-N
Mol Weight 410.58 g/mol
Molecular Formula C23H30N4OS
Exact Mass 410.214034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 102GXjBnck
Name 1-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClODODECA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(1H)-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N4OS
InChI InChI=1S/C23H30N4OS/c1-29-23-25-27-21(28)19-15-11-6-4-2-3-5-7-12-16-20(19)24-22(27)26(23)17-18-13-9-8-10-14-18/h8-10,13-14H,2-7,11-12,15-17H2,1H3
InChIKey IYWHJJGCBJAJRG-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 410.577 g/mol
Solvent CDCl3
Source File Reference UWCS19296
SpectraBase Batch ID 7P37cIbXbGE