John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=75G5uKeBTlW SpectraBase Spectrum ID=2Af8ApELi8j

(accessed ).
TWFNPAYHMGWXBG-TWBJMNBNSA-N
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 1138.411282 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Af8ApELi8j
Name TWFNPAYHMGWXBG-TWBJMNBNSA-N
Compound Number 5C
Copyright Copyright © 2016-2021 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
SpectraBase Batch ID 5L1lPK2wBaM