![HEXAKIS-[6-DEOXY-6-(2,2,2-TRIFLUOROETHYL)-THIO]-ALPHA-CYCLODEXTRIN](/api/spectrum/LR67KLnRDH6/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LR67KLnRDH6 |
|---|---|
| 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 |
| Molecular Weight | 1561.369 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20670 |