![2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine](https://resource.bocsci.com/structure/16059-16-8.gif)
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| IUPAC Name: | 2,2,4,4,6,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene |
| Description: | 2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine is a component of Ultramark 1621 which is a useful calibration compound for negative and positive ion fast-atom bombardment (FAB) high-resolution mass spectrometry. |
| Molecular Weight: | 1521.33 |
| Molecular Formula: | C30H18F48N3O6P3 |
| Canonical SMILES: | C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |
| InChI: | InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2 |
| InChI Key: | TYEUBAWEDRQJFN-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | Colorless Oil |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Jiang, L., et al. J. Am. Soc. Mass Spec., 3, 842 (1992). |
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