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1,10A-DIMETHYL-2-MORPHOLINO-5-THIONO-5,6,8,9,10,10A-HEXAHYDROPYRROLO-[2,1-G]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPIN-8(11H)ON

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1,10A-DIMETHYL-2-MORPHOLINO-5-THIONO-5,6,8,9,10,10A-HEXAHYDROPYRROLO-[2,1-G]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPIN-8(11H)ON
SpectraBase Compound ID HJ1EnhNalsH
InChI InChI=1S/C13H19N7O2S/c1-13-4-3-9(21)20(13)17(2)12(23)19-10(15-13)14-11(16-19)18-5-7-22-8-6-18/h3-8H2,1-2H3,(H,14,15,16)
InChIKey MSCITVBBSICHFY-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 3pWa0ORhpVk
Name 1,10A-DIMETHYL-2-MORPHOLINO-5-THIONO-5,6,8,9,10,10A-HEXAHYDROPYRROLO-[2,1-G]-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPIN-8(11H)ON
Compound Number 12
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)20(13)17(2)12(23)19-10(15-13)14-11(16-19)18-5-7-22-8-6-18/h3-8H2,1-2H3,(H,14,15,16)
InChIKey MSCITVBBSICHFY-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 UWGE884