For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
HEXAKIS-[6-DEOXY-6-(2,2,2-TRIFLUOROETHYL)-THIO]-ALPHA-CYCLODEXTRIN
SpectraBase Compound ID 7bxg3qLmTA3
InChI InChI=1S/C48H66F18O24S6/c49-43(50,51)7-91-1-13-31-19(67)25(73)37(79-13)86-32-14(2-92-8-44(52,53)54)81-39(27(75)21(32)69)88-34-16(4-94-10-46(58,59)60)83-41(29(77)23(34)71)90-36-18(6-96-12-48(64,65)66)84-42(30(78)24(36)72)89-35-17(5-95-11-47(61,62)63)82-40(28(76)22(35)70)87-33-15(3-93-9-45(55,56)57)80-38(85-31)26(74)20(33)68/h13-42,67-78H,1-12H2/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38+,39-,40-,41+,42+/m0/s1
InChIKey QHQUQDKWFMBFQI-KFFAARDSSA-N
Mol Weight 1561.4 g/mol
Molecular Formula C48H66F18O24S6
Exact Mass 1560.198087 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DeDKMq70f0
Name HEXAKIS-[6-DEOXY-6-(2,2,2-TRIFLUOROETHYL)-THIO]-ALPHA-CYCLODEXTRIN
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H66F18O24S6
InChI InChI=1S/C48H66F18O24S6/c49-43(50,51)7-91-1-13-31-19(67)25(73)37(79-13)86-32-14(2-92-8-44(52,53)54)81-39(27(75)21(32)69)88-34-16(4-94-10-46(58,59)60)83-41(29(77)23(34)71)90-36-18(6-96-12-48(64,65)66)84-42(30(78)24(36)72)89-35-17(5-95-11-47(61,62)63)82-40(28(76)22(35)70)87-33-15(3-93-9-45(55,56)57)80-38(85-31)26(74)20(33)68/h13-42,67-78H,1-12H2/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38+,39-,40-,41+,42+/m0/s1
InChIKey QHQUQDKWFMBFQI-KFFAARDSSA-N
Literature Reference Author M.M.BECKER,Z.ZENG,B.J.RAVOO
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6831(2013)
Literature Reference DOI 10.1002/ejoc.201300880
Solvent DMSO-D6
Source File Reference UWBT20670