| SpectraBase Compound ID | I95WX5DDw4t |
|---|---|
| InChI | InChI=1S/C57H65F3N10O7.HI/c1-54(2)40-20-9-11-23-44(40)69(5)46(54)25-17-26-47-55(3,4)41-21-10-12-24-45(41)70(47)33-16-14-27-48(71)61-32-15-13-22-42(65-51(74)38-28-30-39(31-29-38)56(67-68-56)57(58,59)60)52(75)63-35-49(72)62-36-50(73)64-43(53(76)66-77)34-37-18-7-6-8-19-37;/h6-12,17-21,23-26,28-31,42-43H,13-16,22,27,32-36H2,1-5H3,(H6-,61,62,63,64,65,66,67,68,71,72,73,74,75,76,77);1H/t42-,43-;/m1./s1 |
| InChIKey | FBBGYEPJWIUJOC-YHGGUXECSA-N |
| Mol Weight | 1187.1 g/mol |
| Molecular Formula | C57H66F3IN10O7 |
| Exact Mass | 1186.411274 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVHxG30IQJB |
|---|---|
| Name | FBBGYEPJWIUJOC-YHGGUXECSA-N |
| Compound Number | 5E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H65F3IN10O7 |
| InChI | InChI=1S/C57H65F3N10O7.HI/c1-54(2)40-20-9-11-23-44(40)69(5)46(54)25-17-26-47-55(3,4)41-21-10-12-24-45(41)70(47)33-16-14-27-48(71)61-32-15-13-22-42(65-51(74)38-28-30-39(31-29-38)56(67-68-56)57(58,59)60)52(75)63-35-49(72)62-36-50(73)64-43(53(76)66-77)34-37-18-7-6-8-19-37;/h6-12,17-21,23-26,28-31,42-43H,13-16,22,27,32-36H2,1-5H3,(H6-,61,62,63,64,65,66,67,68,71,72,73,74,75,76,77);1H/t42-,43-;/m1./s1 |
| InChIKey | FBBGYEPJWIUJOC-YHGGUXECSA-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 | UWLU34857 |