![5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,8,9-TETRAMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE](/api/spectrum/KMUsm4g9a23/structure.png?h=300&w=458 "5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,8,9-TETRAMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE")
| SpectraBase Compound ID | FXw2eCAxL2 |
|---|---|
| InChI | InChI=1S/C13H21N9OS2/c1-16-11-17(2)19(4)13(25)22-10(21(11)12(24)18(16)3)14-9(15-22)20-5-7-23-8-6-20/h11H,5-8H2,1-4H3 |
| InChIKey | KIVVJACBBJEPJD-UHFFFAOYSA-N |
| Mol Weight | 383.49 g/mol |
| Molecular Formula | C13H21N9OS2 |
| Exact Mass | 383.131049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMUsm4g9a23 |
|---|---|
| Name | 5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,8,9-TETRAMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H21N9OS2 |
| InChI | InChI=1S/C13H21N9OS2/c1-16-11-17(2)19(4)13(25)22-10(21(11)12(24)18(16)3)14-9(15-22)20-5-7-23-8-6-20/h11H,5-8H2,1-4H3 |
| InChIKey | KIVVJACBBJEPJD-UHFFFAOYSA-N |
| Literature Reference Author | J.REITER,J.BARKOCZY |
| Literature Reference Citation | J.HETCYCL.CHEM.,34,1575(1997) |
| Literature Reference DOI | 10.1002/jhet.5570340531 |
| Molecular Weight | 383.489 g/mol |
| Solvent | DMSO-D6 |