John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BdXoenRdIcD SpectraBase Spectrum ID=LxhzqvicYw

(accessed ).
12-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-MORPHOLINO-CYClOOCTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(12H)-ONE
SpectraBase Compound ID BdXoenRdIcD
InChI InChI=1S/C22H27N5O2/c28-20-18-10-6-1-2-7-11-19(18)26(16-17-8-4-3-5-9-17)22-23-21(24-27(20)22)25-12-14-29-15-13-25/h3-5,8-9H,1-2,6-7,10-16H2
InChIKey CALOVCSBSWIYHH-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C22H27N5O2
Exact Mass 393.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxhzqvicYw
Name 12-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-MORPHOLINO-CYClOOCTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(12H)-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N5O2
InChI InChI=1S/C22H27N5O2/c28-20-18-10-6-1-2-7-11-19(18)26(16-17-8-4-3-5-9-17)22-23-21(24-27(20)22)25-12-14-29-15-13-25/h3-5,8-9H,1-2,6-7,10-16H2
InChIKey CALOVCSBSWIYHH-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 393.489 g/mol
Solvent CDCl3
Source File Reference UWCS19300
SpectraBase Batch ID 73l1WtOqoY6