| SpectraBase Compound ID | Hl0YSA4mJwn |
|---|---|
| InChI | InChI=1S/C84H126O35/c1-15-29-92-43-50-64-57(85)71(99-36-22-8)78(106-50)114-65-51(44-93-30-16-2)108-80(73(58(65)86)101-38-24-10)116-67-53(46-95-32-18-4)110-82(75(60(67)88)103-40-26-12)118-69-55(48-97-34-20-6)112-84(77(62(69)90)105-42-28-14)119-70-56(49-98-35-21-7)111-83(76(63(70)91)104-41-27-13)117-68-54(47-96-33-19-5)109-81(74(61(68)89)102-39-25-11)115-66-52(45-94-31-17-3)107-79(113-64)72(59(66)87)100-37-23-9/h15-28,50-91H,1-14,29-49H2/t50-,51-,52-,53-,54+,55+,56-,57+,58+,59+,60+,61-,62-,63+,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74+,75-,76-,77+,78-,79-,80-,81+,82-,83-,84+/m0/s1 |
| InChIKey | KKNGOPPZKOTQEK-MNFKQAFWSA-N |
| Mol Weight | 1695.9 g/mol |
| Molecular Formula | C84H126O35 |
| Exact Mass | 1694.807966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YgyvLyPsRU |
|---|---|
| Name | PER-2,6-DIALLYL-BETA-CYCLODEXTRIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H126O35 |
| InChI | InChI=1S/C84H126O35/c1-15-29-92-43-50-64-57(85)71(99-36-22-8)78(106-50)114-65-51(44-93-30-16-2)108-80(73(58(65)86)101-38-24-10)116-67-53(46-95-32-18-4)110-82(75(60(67)88)103-40-26-12)118-69-55(48-97-34-20-6)112-84(77(62(69)90)105-42-28-14)119-70-56(49-98-35-21-7)111-83(76(63(70)91)104-41-27-13)117-68-54(47-96-33-19-5)109-81(74(61(68)89)102-39-25-11)115-66-52(45-94-31-17-3)107-79(113-64)72(59(66)87)100-37-23-9/h15-28,50-91H,1-14,29-49H2/t50-,51-,52-,53-,54+,55+,56-,57+,58+,59+,60+,61-,62-,63+,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74+,75-,76-,77+,78-,79-,80-,81+,82-,83-,84+/m0/s1 |
| InChIKey | KKNGOPPZKOTQEK-MNFKQAFWSA-N |
| Literature Reference Author | D.A.FULTON,J.F.STODDART |
| Literature Reference Citation | J.ORG.CHEM.,66,8309(2001) |
| Literature Reference DOI | 10.1021/jo010705z |
| Molecular Weight | 1695.903 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29070 |