| SpectraBase Compound ID | 75G5uKeBTlW |
|---|---|
| InChI | InChI=1S/C53H65F3N10O7.HI/c1-33(2)46(49(72)62-73)61-45(69)32-58-44(68)31-59-48(71)38(60-47(70)34-25-27-35(28-26-34)52(63-64-52)53(54,55)56)19-12-14-29-57-43(67)24-13-15-30-66-40-21-11-9-18-37(40)51(5,6)42(66)23-16-22-41-50(3,4)36-17-8-10-20-39(36)65(41)7;/h8-11,16-18,20-23,25-28,33,38,46H,12-15,19,24,29-32H2,1-7H3,(H6-,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73);1H/t38-,46+;/m1./s1 |
| InChIKey | TWFNPAYHMGWXBG-TWBJMNBNSA-N |
| Mol Weight | 1139.1 g/mol |
| Molecular Formula | C53H66F3IN10O7 |
| Exact Mass | 1138.411274 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Af8ApELi8j |
|---|---|
| Name | TWFNPAYHMGWXBG-TWBJMNBNSA-N |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H65F3IN10O7 |
| InChI | InChI=1S/C53H65F3N10O7.HI/c1-33(2)46(49(72)62-73)61-45(69)32-58-44(68)31-59-48(71)38(60-47(70)34-25-27-35(28-26-34)52(63-64-52)53(54,55)56)19-12-14-29-57-43(67)24-13-15-30-66-40-21-11-9-18-37(40)51(5,6)42(66)23-16-22-41-50(3,4)36-17-8-10-20-39(36)65(41)7;/h8-11,16-18,20-23,25-28,33,38,46H,12-15,19,24,29-32H2,1-7H3,(H6-,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73);1H/t38-,46+;/m1./s1 |
| InChIKey | TWFNPAYHMGWXBG-TWBJMNBNSA-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 | UWLU34855 |