| SpectraBase Compound ID | KVVeMa0qciu |
|---|---|
| InChI | InChI=1S/C52H63F3N10O8.HI/c1-32(66)45(48(72)61-73)60-44(69)31-57-43(68)30-58-47(71)37(59-46(70)33-24-26-34(27-25-33)51(62-63-51)52(53,54)55)18-11-13-28-56-42(67)23-12-14-29-65-39-20-10-8-17-36(39)50(4,5)41(65)22-15-21-40-49(2,3)35-16-7-9-19-38(35)64(40)6;/h7-10,15-17,19-22,24-27,32,37,45,66H,11-14,18,23,28-31H2,1-6H3,(H6-,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73);1H/t32?,37-,45+;/m1./s1 |
| InChIKey | KVAGLNKJTOABJV-PNLMEKRSSA-N |
| Mol Weight | 1141.0 g/mol |
| Molecular Formula | C52H64F3IN10O8 |
| Exact Mass | 1140.390539 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6x7VSVpwyO |
|---|---|
| Name | KVAGLNKJTOABJV-PNLMEKRSSA-N |
| Compound Number | 5G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H63F3IN10O8 |
| InChI | InChI=1S/C52H63F3N10O8.HI/c1-32(66)45(48(72)61-73)60-44(69)31-57-43(68)30-58-47(71)37(59-46(70)33-24-26-34(27-25-33)51(62-63-51)52(53,54)55)18-11-13-28-56-42(67)23-12-14-29-65-39-20-10-8-17-36(39)50(4,5)41(65)22-15-21-40-49(2,3)35-16-7-9-19-38(35)64(40)6;/h7-10,15-17,19-22,24-27,32,37,45,66H,11-14,18,23,28-31H2,1-6H3,(H6-,56,57,58,59,60,61,62,63,67,68,69,70,71,72,73);1H/t32?,37-,45+;/m1./s1 |
| InChIKey | KVAGLNKJTOABJV-PNLMEKRSSA-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 | UWLU34859 |