| SpectraBase Compound ID | 6C17VF9Ci4V |
|---|---|
| InChI | InChI=1S/C25H29F2N7.2CH4O3S/c1-2-13-29-24-31-23(28)32-25(33-24)34-14-11-21(12-15-34)30-16-22(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18;2*1-5(2,3)4/h2-10,21-22,30H,1,11-16H2,(H3,28,29,31,32,33);2*1H3,(H,2,3,4) |
| InChIKey | RKKLYPWIZUVHBA-UHFFFAOYSA-N |
| Mol Weight | 657.75 g/mol |
| Molecular Formula | C27H37F2N7O6S2 |
| Exact Mass | 657.221481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2O6i62TzDTV |
|---|---|
| Name | RKKLYPWIZUVHBA-UHFFFAOYSA-N |
| Compound Number | 2'' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H37F2N7O6S2 |
| InChI | InChI=1S/C25H29F2N7.2CH4O3S/c1-2-13-29-24-31-23(28)32-25(33-24)34-14-11-21(12-15-34)30-16-22(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18;2*1-5(2,3)4/h2-10,21-22,30H,1,11-16H2,(H3,28,29,31,32,33);2*1H3,(H,2,3,4) |
| InChIKey | RKKLYPWIZUVHBA-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 | 657.751 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI24997 |