| SpectraBase Compound ID | 6BrjYfz0iCt |
|---|---|
| InChI | InChI=1S/C17H20F4N6O5S.C16H36N.O.Re/c18-12-11(13(19)15(21)16(22)14(12)20)17(32)24-2-1-23-7(28)3-25-8(29)4-26-9(30)5-27-10(31)6-33;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h1-6H2,(H8,22,23,24,25,26,27,28,29,30,31,32,33);5-16H2,1-4H3;;/q;+1;;+3/p-4 |
| InChIKey | XAPBDEHINLUTCE-UHFFFAOYSA-J |
| Mol Weight | 937.08 g/mol |
| Molecular Formula | C33H52F4N7O6ReS |
| Exact Mass | 937.319343 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWYxwFrwdyZ |
|---|---|
| Name | XAPBDEHINLUTCE-UHFFFAOYSA-J |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52F4N7O6ReS |
| InChI | InChI=1S/C17H20F4N6O5S.C16H36N.O.Re/c18-12-11(13(19)15(21)16(22)14(12)20)17(32)24-2-1-23-7(28)3-25-8(29)4-26-9(30)5-27-10(31)6-33;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h1-6H2,(H8,22,23,24,25,26,27,28,29,30,31,32,33);5-16H2,1-4H3;;/q;+1;;+3/p-4 |
| InChIKey | XAPBDEHINLUTCE-UHFFFAOYSA-J |
| Literature Reference Author | R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI |
| Literature Reference Citation | J.ORG.CHEM.,67,6748(2002) |
| Literature Reference DOI | 10.1021/jo010782u |
| Solvent | CDCl3 |
| Source File Reference | UWSI22091 |