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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-1'-CYClOHEXANE

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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-1'-CYClOHEXANE
SpectraBase Compound ID 9JM7sKJhNbP
InChI InChI=1S/C14H23N7OS/c1-19-13(23)21-11(16-14(18-19)5-3-2-4-6-14)15-12(17-21)20-7-9-22-10-8-20/h18H,2-10H2,1H3,(H,15,16,17)
InChIKey QMUNWABWBYIQJR-UHFFFAOYSA-N
Mol Weight 337.45 g/mol
Molecular Formula C14H23N7OS
Exact Mass 337.16848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmJ9wmrnssW
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-1'-CYClOHEXANE
Compound Number 7/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H23N7OS
InChI InChI=1S/C14H23N7OS/c1-19-13(23)21-11(16-14(18-19)5-3-2-4-6-14)15-12(17-21)20-7-9-22-10-8-20/h18H,2-10H2,1H3,(H,15,16,17)
InChIKey QMUNWABWBYIQJR-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 337.443 g/mol
Solvent CDCl3
Source File Reference UWGE863