| SpectraBase Compound ID | CCUPhI4P3Qr |
|---|---|
| InChI | InChI=1S/2C28H30F3NO4/c2*1-4-35-26(34)24-22(21-17-10-15-9-16(12-17)13-18(21)11-15)25(33)36-27(24,28(29,30)31)23-14(2)32(3)20-8-6-5-7-19(20)23/h2*5-8,15-18,24H,4,9-13H2,1-3H3/b2*22-21-/t15-,16+,17-,18+,24-,27+;15-,16+,17-,18+,24-,27-/m10/s1 |
| InChIKey | MTJFRCJHWIOCOK-NZARGNMBSA-N |
| Mol Weight | 1003.09 g/mol |
| Molecular Formula | C56H60F6N2O8 |
| Exact Mass | 1002.425386 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOZjuMXXgMG |
|---|---|
| Name | MTJFRCJHWIOCOK-NZARGNMBSA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H60F6N2O8 |
| InChI | InChI=1S/2C28H30F3NO4/c2*1-4-35-26(34)24-22(21-17-10-15-9-16(12-17)13-18(21)11-15)25(33)36-27(24,28(29,30)31)23-14(2)32(3)20-8-6-5-7-19(20)23/h2*5-8,15-18,24H,4,9-13H2,1-3H3/b2*22-21-/t15-,16+,17-,18+,24-,27+;15-,16+,17-,18+,24-,27-/m10/s1 |
| InChIKey | MTJFRCJHWIOCOK-NZARGNMBSA-N |
| Literature Reference Author | C.J.THOMAS,M.A.WALAK,R.R.BIRGE,W.J.LEES |
| Literature Reference Citation | J.ORG.CHEM.,66,1914(2001) |
| Literature Reference DOI | 10.1021/jo005722n |
| Solvent | CDCl3 |
| Source File Reference | UWMS26252 |