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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'-CYClODODECANE

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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'-CYClODODECANE
SpectraBase Compound ID LWxCAOfNXCq
InChI InChI=1S/C20H35N7OS/c1-25-19(29)27-17(21-18(23-27)26-13-15-28-16-14-26)22-20(24-25)11-9-7-5-3-2-4-6-8-10-12-20/h24H,2-16H2,1H3,(H,21,22,23)
InChIKey NEVSJUVHKFSRLN-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C20H35N7OS
Exact Mass 421.26238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rTFXVIU1J4
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'-CYClODODECANE
Compound Number 7/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H35N7OS
InChI InChI=1S/C20H35N7OS/c1-25-19(29)27-17(21-18(23-27)26-13-15-28-16-14-26)22-20(24-25)11-9-7-5-3-2-4-6-8-10-12-20/h24H,2-16H2,1H3,(H,21,22,23)
InChIKey NEVSJUVHKFSRLN-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 421.604 g/mol
Solvent CDCl3
Source File Reference UWGE867