| SpectraBase Compound ID | RqgiLQC3wn |
|---|---|
| InChI | InChI=1S/C28H33F2N7.CH4O3S/c1-3-13-31-26-34-27(32-14-4-2)36-28(35-26)37-15-11-25(12-16-37)33-19-22-18-24(30)10-7-21(22)17-20-5-8-23(29)9-6-20;1-5(2,3)4/h3-10,18,25,33H,1-2,11-17,19H2,(H2,31,32,34,35,36);1H3,(H,2,3,4) |
| InChIKey | FKUDKVJSQKTWLN-UHFFFAOYSA-N |
| Mol Weight | 601.7 g/mol |
| Molecular Formula | C29H37F2N7O3S |
| Exact Mass | 601.264666 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KUmXT4ju7E |
|---|---|
| Name | S9788_MONOMETHANESULFONATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H37F2N7O3S |
| InChI | InChI=1S/C28H33F2N7.CH4O3S/c1-3-13-31-26-34-27(32-14-4-2)36-28(35-26)37-15-11-25(12-16-37)33-19-22-18-24(30)10-7-21(22)17-20-5-8-23(29)9-6-20;1-5(2,3)4/h3-10,18,25,33H,1-2,11-17,19H2,(H2,31,32,34,35,36);1H3,(H,2,3,4) |
| InChIKey | FKUDKVJSQKTWLN-UHFFFAOYSA-N |
| Literature Reference Author | M.AMM,N.PLATZER,J.GUILHEM,J.P.BOUCHET,J.P.VOLLAND |
| Literature Reference Citation | MAGN.RES.CHEM.,36,587(1998) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199808)36:8<587::aid-omr347>3.3.co;2-2 |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ5405 |