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6-METHYL-2METHYLTHIO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEXANE

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6-METHYL-2METHYLTHIO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEXANE
SpectraBase Compound ID JNCqTwArIMH
InChI InChI=1S/C11H18N6S2/c1-16-10(18)17-8(12-9(14-17)19-2)13-11(15-16)6-4-3-5-7-11/h15H,3-7H2,1-2H3,(H,12,13,14)
InChIKey VPQQGNFHAQAZRJ-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C11H18N6S2
Exact Mass 298.103437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eoVvXENE70
Name 6-METHYL-2METHYLTHIO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEXANE
Compound Number 7/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18N6S2
InChI InChI=1S/C11H18N6S2/c1-16-10(18)17-8(12-9(14-17)19-2)13-11(15-16)6-4-3-5-7-11/h15H,3-7H2,1-2H3,(H,12,13,14)
InChIKey VPQQGNFHAQAZRJ-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,E.SZABO,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1019(1993)
Literature Reference DOI 10.1002/jhet.5570300430
Molecular Weight 298.424 g/mol
Solvent CDCl3
Source File Reference UWGE864