![5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,7A,8,9-PENTYMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE](/api/spectrum/65QPWq3vx89/structure.png?h=300&w=458 "5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,7A,8,9-PENTYMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE")
| SpectraBase Compound ID | 2qROYEOMcaz |
|---|---|
| InChI | InChI=1S/2C14H23N9OS2/c2*1-14-19(4)17(2)12(25)22(14)11-15-10(21-6-8-24-9-7-21)16-23(11)13(26)18(3)20(14)5/h2*6-9H2,1-5H3 |
| InChIKey | FLVCPTNFYCZCBJ-UHFFFAOYSA-N |
| Mol Weight | 795.04 g/mol |
| Molecular Formula | C28H46N18O2S4 |
| Exact Mass | 794.293397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65QPWq3vx89 |
|---|---|
| Name | 5,6,7,7A,8,9-HEXAHYDRO-2-MORPHOLINO-6,7,7A,8,9-PENTYMETHYL-(10H)-[1,2,4]-TRIAZOLO-[4,3-F]-[1,2,4]-TRIAZOLO-[1,5-D]-TETRAZEPINE-5,10-DITHIONE |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46N18O2S4 |
| InChI | InChI=1S/2C14H23N9OS2/c2*1-14-19(4)17(2)12(25)22(14)11-15-10(21-6-8-24-9-7-21)16-23(11)13(26)18(3)20(14)5/h2*6-9H2,1-5H3 |
| InChIKey | FLVCPTNFYCZCBJ-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 | 795.033 g/mol |
| Solvent | DMSO-D6 |