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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-(3'-THIACYClOHEXANE)

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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-(3'-THIACYClOHEXANE)
SpectraBase Compound ID EZvHT9AzZXD
InChI InChI=1S/C13H21N7OS2/c1-18-12(22)20-10(15-13(17-18)3-2-8-23-9-13)14-11(16-20)19-4-6-21-7-5-19/h17H,2-9H2,1H3,(H,14,15,16)
InChIKey QECAOXUHLXXHGA-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C13H21N7OS2
Exact Mass 355.124901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTcrTGH3i6y
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-(3'-THIACYClOHEXANE)
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21N7OS2
InChI InChI=1S/C13H21N7OS2/c1-18-12(22)20-10(15-13(17-18)3-2-8-23-9-13)14-11(16-20)19-4-6-21-7-5-19/h17H,2-9H2,1H3,(H,14,15,16)
InChIKey QECAOXUHLXXHGA-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 355.476 g/mol
Solvent CDCl3
Source File Reference UWGE869