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6,8-DIMETHYL-8-ETHYL-2-MORPHOLINO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(9H)-THIONE
SpectraBase Compound ID JQBtIuJtzrD
InChI InChI=1S/C12H21N7OS/c1-4-12(2)14-9-13-10(18-5-7-20-8-6-18)15-19(9)11(21)17(3)16-12/h16H,4-8H2,1-3H3,(H,13,14,15)
InChIKey FTSVRTGTEOZXQU-UHFFFAOYSA-N
Mol Weight 311.41 g/mol
Molecular Formula C12H21N7OS
Exact Mass 311.152829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeLHz4bSMsF
Name 6,8-DIMETHYL-8-ETHYL-2-MORPHOLINO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(9H)-THIONE
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21N7OS
InChI InChI=1S/C12H21N7OS/c1-4-12(2)14-9-13-10(18-5-7-20-8-6-18)15-19(9)11(21)17(3)16-12/h16H,4-8H2,1-3H3,(H,13,14,15)
InChIKey FTSVRTGTEOZXQU-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1009(1993)
Literature Reference DOI 10.1002/jhet.5570300429
Molecular Weight 311.405 g/mol
Solvent CDCl3
Source File Reference UWGE796