| SpectraBase Compound ID | J9PnV39rCN3 |
|---|---|
| InChI | InChI=1S/C41H47F3N6O11S/c1-22-35(51)46-23(2)38(54)48(4)30(18-25-10-15-29(16-11-25)61-62(57,58)41(42,43)44)37(53)47-24(3)39(55)50(6)32-19-26-8-13-28(14-9-26)60-34-21-27(12-17-33(34)59-7)20-31(36(52)45-22)49(5)40(32)56/h8-17,21-24,30-32H,18-20H2,1-7H3,(H,45,52)(H,46,51)(H,47,53)/t22-,23+,24+,30+,31+,32+/m1/s1 |
| InChIKey | FZPQIFPSURSSJP-LZQLRFBTSA-N |
| Mol Weight | 888.9 g/mol |
| Molecular Formula | C41H47F3N6O11S |
| Exact Mass | 888.297562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2N8mkdpnQol |
|---|---|
| Name | RA-II-O-TRIFLATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H47F3N6O11S |
| InChI | InChI=1S/C41H47F3N6O11S/c1-22-35(51)46-23(2)38(54)48(4)30(18-25-10-15-29(16-11-25)61-62(57,58)41(42,43)44)37(53)47-24(3)39(55)50(6)32-19-26-8-13-28(14-9-26)60-34-21-27(12-17-33(34)59-7)20-31(36(52)45-22)49(5)40(32)56/h8-17,21-24,30-32H,18-20H2,1-7H3,(H,45,52)(H,46,51)(H,47,53)/t22-,23+,24+,30+,31+,32+/m1/s1 |
| InChIKey | FZPQIFPSURSSJP-LZQLRFBTSA-N |
| Literature Reference Author | Y.HITOTSUYANAGI,S.LEE,I.ITO,K.KONDO,K.TAKEYA,T.YAMAGISHI,T.N AGATE,H.ITOKAWA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,213(1995) |
| Literature Reference DOI | 10.1039/p19960000213 |
| Molecular Weight | 888.913 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE2310 |