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6,8-DIMETHYL-8-(2-ETHOXYCARBONYLETHYL)-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(7H)-THIONE

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6,8-DIMETHYL-8-(2-ETHOXYCARBONYLETHYL)-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(7H)-THIONE
SpectraBase Compound ID Dd8nESkJUso
InChI InChI=1S/C15H25N7O3S/c1-4-25-11(23)5-6-15(2)17-12-16-13(21-7-9-24-10-8-21)18-22(12)14(26)20(3)19-15/h19H,4-10H2,1-3H3,(H,16,17,18)
InChIKey MORQCBTZURROSJ-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C15H25N7O3S
Exact Mass 383.173959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzpSJ25SSJn
Name 6,8-DIMETHYL-8-(2-ETHOXYCARBONYLETHYL)-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(7H)-THIONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25N7O3S
InChI InChI=1S/C15H25N7O3S/c1-4-25-11(23)5-6-15(2)17-12-16-13(21-7-9-24-10-8-21)18-22(12)14(26)20(3)19-15/h19H,4-10H2,1-3H3,(H,16,17,18)
InChIKey MORQCBTZURROSJ-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 383.469 g/mol
Solvent DMSO-D6
Source File Reference UWGE879