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6,7-DIMETHYL-2-MORPHOLINO-5-THIOXO-5,6,7A,8;9,10-HEXAHYDROPYRROLO-[1,2-F]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-10-(7H)-ONE

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6,7-DIMETHYL-2-MORPHOLINO-5-THIOXO-5,6,7A,8;9,10-HEXAHYDROPYRROLO-[1,2-F]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-10-(7H)-ONE
SpectraBase Compound ID JWPHYaOLVZj
InChI InChI=1S/C13H19N7O2S/c1-13-4-3-9(21)19(13)11-14-10(18-5-7-22-8-6-18)15-20(11)12(23)17(2)16-13/h16H,3-8H2,1-2H3
InChIKey LJUKYJJVNCJPHN-UHFFFAOYSA-N
Mol Weight 337.4 g/mol
Molecular Formula C13H19N7O2S
Exact Mass 337.132094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 459dNAJRLD2
Name 6,7-DIMETHYL-2-MORPHOLINO-5-THIOXO-5,6,7A,8;9,10-HEXAHYDROPYRROLO-[1,2-F]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-10-(7H)-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19N7O2S
InChI InChI=1S/C13H19N7O2S/c1-13-4-3-9(21)19(13)11-14-10(18-5-7-22-8-6-18)15-20(11)12(23)17(2)16-13/h16H,3-8H2,1-2H3
InChIKey LJUKYJJVNCJPHN-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,30,1325(1993)
Literature Reference DOI 10.1002/jhet.5570300524
Molecular Weight 337.400 g/mol
Solvent DMSO-D6
Source File Reference UWGE883