John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FGxroDUoA5M SpectraBase Spectrum ID=73vpvHJyUqh

(accessed ).
5,6,7,8,9,10,11,12,13,14-DECAHYDRO-2-METHYLTHIO-CYClODODECA-[E]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-15(16H)-ONE
SpectraBase Compound ID FGxroDUoA5M
InChI InChI=1S/C16H24N4OS/c1-22-16-18-15-17-14(21)12-10-8-6-4-2-3-5-7-9-11-13(12)20(15)19-16/h2-11H2,1H3,(H,17,18,19,21)
InChIKey FBBIDHCVTWZBGH-UHFFFAOYSA-N
Mol Weight 320.46 g/mol
Molecular Formula C16H24N4OS
Exact Mass 320.167083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73vpvHJyUqh
Name 5,6,7,8,9,10,11,12,13,14-DECAHYDRO-2-METHYLTHIO-CYClODODECA-[E]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-15(16H)-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24N4OS
InChI InChI=1S/C16H24N4OS/c1-22-16-18-15-17-14(21)12-10-8-6-4-2-3-5-7-9-11-13(12)20(15)19-16/h2-11H2,1H3,(H,17,18,19,21)
InChIKey FBBIDHCVTWZBGH-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 320.453 g/mol
Solvent DMSO-D6
Source File Reference UWCS19303
SpectraBase Batch ID 6yR00XbB7N4