| SpectraBase Compound ID | F4iKLq2qczy |
|---|---|
| InChI | InChI=1S/C56H72N8O32/c57-9-1-17-41-25(65)33(73)49(81-17)90-42-18(2-10-58)83-51(35(75)27(42)67)92-44-20(4-12-60)85-53(37(77)29(44)69)94-46-22(6-14-62)87-55(39(79)31(46)71)96-48-24(8-16-64)88-56(40(80)32(48)72)95-47-23(7-15-63)86-54(38(78)30(47)70)93-45-21(5-13-61)84-52(36(76)28(45)68)91-43-19(3-11-59)82-50(89-41)34(74)26(43)66/h17-56,65-80H,1-8H2/t17-,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-,43-,44-,45-,46?,47+,48+,49+,50+,51+,52+,53+,54-,55+,56-/m0/s1 |
| InChIKey | BCYAOUFTSWQOAH-LUZWQLQWSA-N |
| Mol Weight | 1369.2 g/mol |
| Molecular Formula | C56H72N8O32 |
| Exact Mass | 1368.425262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RjSOslYD0H |
|---|---|
| Name | PER-6-CYANO-6-DEOXY-GAMMA-CYClODEXTRIN |
| Compound Number | 16G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H72N8O32 |
| InChI | InChI=1S/C56H72N8O32/c57-9-1-17-41-25(65)33(73)49(81-17)90-42-18(2-10-58)83-51(35(75)27(42)67)92-44-20(4-12-60)85-53(37(77)29(44)69)94-46-22(6-14-62)87-55(39(79)31(46)71)96-48-24(8-16-64)88-56(40(80)32(48)72)95-47-23(7-15-63)86-54(38(78)30(47)70)93-45-21(5-13-61)84-52(36(76)28(45)68)91-43-19(3-11-59)82-50(89-41)34(74)26(43)66/h17-56,65-80H,1-8H2/t17-,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-,43-,44-,45-,46?,47+,48+,49+,50+,51+,52+,53+,54-,55+,56-/m0/s1 |
| InChIKey | BCYAOUFTSWQOAH-LUZWQLQWSA-N |
| Literature Reference Author | D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER |
| Literature Reference Citation | J.ORG.CHEM.,62,8760(1997) |
| Literature Reference DOI | 10.1021/jo9711549 |
| Molecular Weight | 1369.222 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP793 |