| SpectraBase Compound ID | CSlooE98FS6 |
|---|---|
| InChI | InChI=1S/C54H67F3N10O7.HI/c1-34(2)31-40(50(73)63-74)61-47(70)33-59-46(69)32-60-49(72)39(62-48(71)35-25-27-36(28-26-35)53(64-65-53)54(55,56)57)19-12-14-29-58-45(68)24-13-15-30-67-42-21-11-9-18-38(42)52(5,6)44(67)23-16-22-43-51(3,4)37-17-8-10-20-41(37)66(43)7;/h8-11,16-18,20-23,25-28,34,39-40H,12-15,19,24,29-33H2,1-7H3,(H6-,58,59,60,61,62,63,64,65,68,69,70,71,72,73,74);1H/t39-,40+;/m1./s1 |
| InChIKey | UFQAVTRJIOKAAO-AANOXMMASA-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 | KzACmDmha7L |
|---|---|
| Name | UFQAVTRJIOKAAO-AANOXMMASA-N |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H67F3IN10O7 |
| InChI | InChI=1S/C54H67F3N10O7.HI/c1-34(2)31-40(50(73)63-74)61-47(70)33-59-46(69)32-60-49(72)39(62-48(71)35-25-27-36(28-26-35)53(64-65-53)54(55,56)57)19-12-14-29-58-45(68)24-13-15-30-67-42-21-11-9-18-38(42)52(5,6)44(67)23-16-22-43-51(3,4)37-17-8-10-20-41(37)66(43)7;/h8-11,16-18,20-23,25-28,34,39-40H,12-15,19,24,29-33H2,1-7H3,(H6-,58,59,60,61,62,63,64,65,68,69,70,71,72,73,74);1H/t39-,40+;/m1./s1 |
| InChIKey | UFQAVTRJIOKAAO-AANOXMMASA-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 | UWLU34853 |