| SpectraBase Compound ID | Inm7BaVvLK0 |
|---|---|
| InChI | InChI=1S/C54H67F3N10O7.HI/c1-8-34(2)47(50(73)63-74)62-46(70)33-59-45(69)32-60-49(72)39(61-48(71)35-26-28-36(29-27-35)53(64-65-53)54(55,56)57)20-13-15-30-58-44(68)25-14-16-31-67-41-22-12-10-19-38(41)52(5,6)43(67)24-17-23-42-51(3,4)37-18-9-11-21-40(37)66(42)7;/h9-12,17-19,21-24,26-29,34,39,47H,8,13-16,20,25,30-33H2,1-7H3,(H6-,58,59,60,61,62,63,64,65,68,69,70,71,72,73,74);1H/t34?,39-,47-;/m1./s1 |
| InChIKey | CEIPABOFSAIPBJ-JASAUUPHSA-N |
| Mol Weight | 1153.1 g/mol |
| Molecular Formula | C54H68F3IN10O7 |
| Exact Mass | 1152.426924 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaFFjYW9820 |
|---|---|
| Name | CEIPABOFSAIPBJ-JASAUUPHSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H67F3IN10O7 |
| InChI | InChI=1S/C54H67F3N10O7.HI/c1-8-34(2)47(50(73)63-74)62-46(70)33-59-45(69)32-60-49(72)39(61-48(71)35-26-28-36(29-27-35)53(64-65-53)54(55,56)57)20-13-15-30-58-44(68)25-14-16-31-67-41-22-12-10-19-38(41)52(5,6)43(67)24-17-23-42-51(3,4)37-18-9-11-21-40(37)66(42)7;/h9-12,17-19,21-24,26-29,34,39,47H,8,13-16,20,25,30-33H2,1-7H3,(H6-,58,59,60,61,62,63,64,65,68,69,70,71,72,73,74);1H/t34?,39-,47-;/m1./s1 |
| InChIKey | CEIPABOFSAIPBJ-JASAUUPHSA-N |
| Literature Reference Author | E.W.S.CHAN,S.CHATTOPADHAYA,R.C.PANICKER,X.HUANG,S.Q.YAO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,14435(2004) |
| Literature Reference DOI | 10.1021/ja047044i |
| Solvent | CD3OD |
| Source File Reference | UWLU34854 |