![2,5,10,13-Tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.26,9]eicosane, 3,3,4,4,11,11,12,12-octafluoro-](/api/spectrum/6aOkIyUVgnV/structure.png?h=300&w=458 "2,5,10,13-Tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.26,9]eicosane, 3,3,4,4,11,11,12,12-octafluoro-")
| SpectraBase Compound ID | HxVQBu2Sehw |
|---|---|
| InChI | InChI=1S/C12H16F8N4S4/c13-9(14)10(15,16)27-23-5-7-24(8-6-23)28-12(19,20)11(17,18)26-22-2-1-21(25-9)3-4-22/h1-8H2 |
| InChIKey | TXRJUCHXKXPFIQ-UHFFFAOYSA-N |
| Mol Weight | 496.5 g/mol |
| Molecular Formula | C12H16F8N4S4 |
| Exact Mass | 496.013007 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6aOkIyUVgnV |
|---|---|
| Name | 2,5,10,13-Tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.26,9]eicosane, 3,3,4,4,11,11,12,12-octafluoro- |
| CAS Registry Number | 97820-12-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16F8N4S4 |
| InChI | InChI=1S/C12H16F8N4S4/c13-9(14)10(15,16)27-23-5-7-24(8-6-23)28-12(19,20)11(17,18)26-22-2-1-21(25-9)3-4-22/h1-8H2 |
| InChIKey | TXRJUCHXKXPFIQ-UHFFFAOYSA-N |
| Molecular Weight | 496.515 g/mol |
| SMILES | C1(C(SN2CCN(SC(C(SN3CCN(S1)CC3)(F)F)(F)F)CC2)(F)F)(F)F |
| SPLASH | splash10-057i-9000000000-9b1950740733e09c6003 |
| Source of Spectrum | K-118-2819-9 |
| Synonyms | 3,3,4,4,11,11,12,12-Octafluoro-2,5,10,13-tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.2(6,9)]eicosan 3,3,4,4,11,11,12,12-octafluoro-2,5,10,13-tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.2(6,9)]eicosane 3,3,4,4,11,11,12,12-octafluoro-2,5,10,13-tetrathia-1,6,9,14-tetraazatricyclo[12.2.2.2(6,9)]icosane |
| Wiley ID | 1398132 |