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6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-4'-(N-BENZYLPIPERIDINE)

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6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-4'-(N-BENZYLPIPERIDINE)
SpectraBase Compound ID 7VNyIWmiZ0Z
InChI InChI=1S/C20H28N8OS/c1-25-19(30)28-17(21-18(23-28)27-11-13-29-14-12-27)22-20(24-25)7-9-26(10-8-20)15-16-5-3-2-4-6-16/h2-6,24H,7-15H2,1H3,(H,21,22,23)
InChIKey WYXVIZFCUHOKML-UHFFFAOYSA-N
Mol Weight 428.56 g/mol
Molecular Formula C20H28N8OS
Exact Mass 428.210679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eo0JSdEqRoM
Name 6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-4'-(N-BENZYLPIPERIDINE)
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N8OS
InChI InChI=1S/C20H28N8OS/c1-25-19(30)28-17(21-18(23-28)27-11-13-29-14-12-27)22-20(24-25)7-9-26(10-8-20)15-16-5-3-2-4-6-16/h2-6,24H,7-15H2,1H3,(H,21,22,23)
InChIKey WYXVIZFCUHOKML-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,E.SZABO,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1019(1993)
Literature Reference DOI 10.1002/jhet.5570300430
Molecular Weight 428.555 g/mol
Solvent CDCl3
Source File Reference UWGE868