| SpectraBase Compound ID | 7hJEnZZ05Wc |
|---|---|
| InChI | InChI=1S/C28H33F2N7.CH4O3S/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21;1-5(2,3)4/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36);1H3,(H,2,3,4) |
| InChIKey | ORXDLBLNMPWCRV-UHFFFAOYSA-N |
| Mol Weight | 601.7 g/mol |
| Molecular Formula | C29H37F2N7O3S |
| Exact Mass | 601.264666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZp3s6QUotE |
|---|---|
| Name | ORXDLBLNMPWCRV-UHFFFAOYSA-N |
| Compound Number | 1' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H37F2N7O3S |
| InChI | InChI=1S/C28H33F2N7.CH4O3S/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21;1-5(2,3)4/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36);1H3,(H,2,3,4) |
| InChIKey | ORXDLBLNMPWCRV-UHFFFAOYSA-N |
| Literature Reference Author | M.AMM,N.PLATZER,J.P.BOUCHET,J.P.VOLLAND |
| Literature Reference Citation | MAGN.RES.CHEM.,39,77(2001) |
| Literature Reference DOI | 10.1002/1097-458x(200102)39:2<77::aid-mrc801>3.0.co;2-h |
| Molecular Weight | 601.715 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI24993 |