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6,8-DIMETHYL-8-ETHYL-2-METHYLTHIO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(9H)-THIONE
SpectraBase Compound ID 9a2OUaPEASn
InChI InChI=1S/C9H16N6S2/c1-5-9(2)11-6-10-7(17-4)12-15(6)8(16)14(3)13-9/h13H,5H2,1-4H3,(H,10,11,12)
InChIKey CZBMTAICOCBAMJ-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C9H16N6S2
Exact Mass 272.087787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hGG5y5gr4c
Name 6,8-DIMETHYL-8-ETHYL-2-METHYLTHIO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(9H)-THIONE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16N6S2
InChI InChI=1S/C9H16N6S2/c1-5-9(2)11-6-10-7(17-4)12-15(6)8(16)14(3)13-9/h13H,5H2,1-4H3,(H,10,11,12)
InChIKey CZBMTAICOCBAMJ-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 272.386 g/mol
Solvent DMSO-D6
Source File Reference UWGE797