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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'-CYClOOCTANE

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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'-CYClOOCTANE
SpectraBase Compound ID FHr2CCId7tk
InChI InChI=1S/C16H27N7OS/c1-21-15(25)23-13(17-14(19-23)22-9-11-24-12-10-22)18-16(20-21)7-5-3-2-4-6-8-16/h20H,2-12H2,1H3,(H,17,18,19)
InChIKey NJDMCPGEBHJXDO-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C16H27N7OS
Exact Mass 365.19978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ML7lvv4DNh
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'-CYClOOCTANE
Compound Number 7/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27N7OS
InChI InChI=1S/C16H27N7OS/c1-21-15(25)23-13(17-14(19-23)22-9-11-24-12-10-22)18-16(20-21)7-5-3-2-4-6-8-16/h20H,2-12H2,1H3,(H,17,18,19)
InChIKey NJDMCPGEBHJXDO-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 365.497 g/mol
Solvent CDCl3
Source File Reference UWGE866