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6,8-DIMETHYL-8-METHOXYCARBONYLMETHYL-2-METHYLTHIO-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-METHOXYCARBONYLMETHYL-2-METHYLTHIO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(7H)-THIONE
SpectraBase Compound ID EIYjDRlt6G1
InChI InChI=1S/C10H16N6O2S2/c1-10(5-6(17)18-3)12-7-11-8(20-4)13-16(7)9(19)15(2)14-10/h14H,5H2,1-4H3,(H,11,12,13)
InChIKey BCJIWLFRWDPHFA-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C10H16N6O2S2
Exact Mass 316.077616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oiMck5hdUQ
Name 6,8-DIMETHYL-8-METHOXYCARBONYLMETHYL-2-METHYLTHIO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-(7H)-THIONE
Compound Number 3'D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H16N6O2S2
InChI InChI=1S/C10H16N6O2S2/c1-10(5-6(17)18-3)12-7-11-8(20-4)13-16(7)9(19)15(2)14-10/h14H,5H2,1-4H3,(H,11,12,13)
InChIKey BCJIWLFRWDPHFA-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 316.396 g/mol
Solvent DMSO-D6
Source File Reference UWGE878