| SpectraBase Compound ID | IqvOHam5REF |
|---|---|
| InChI | InChI=1S/C21H29F4N7O5S.C16H36N.O.Re/c1-3-32(4-2)31-20-18(24)16(22)15(17(23)19(20)25)21(37)27-6-5-26-11(33)7-28-12(34)8-29-13(35)9-30-14(36)10-38;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h3-10H2,1-2H3,(H7,26,27,28,29,30,31,33,34,35,36,37,38);5-16H2,1-4H3;;/q;+1;;+3/p-4 |
| InChIKey | QMTNVASHAZIYCA-UHFFFAOYSA-J |
| Mol Weight | 1008.21 g/mol |
| Molecular Formula | C37H61F4N8O6ReS |
| Exact Mass | 1008.392843 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hw1Cxc5Xi78 |
|---|---|
| Name | QMTNVASHAZIYCA-UHFFFAOYSA-J |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H61F4N8O6ReS |
| InChI | InChI=1S/C21H29F4N7O5S.C16H36N.O.Re/c1-3-32(4-2)31-20-18(24)16(22)15(17(23)19(20)25)21(37)27-6-5-26-11(33)7-28-12(34)8-29-13(35)9-30-14(36)10-38;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h3-10H2,1-2H3,(H7,26,27,28,29,30,31,33,34,35,36,37,38);5-16H2,1-4H3;;/q;+1;;+3/p-4 |
| InChIKey | QMTNVASHAZIYCA-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 | UWSI22090 |