| SpectraBase Compound ID | 8Db8DMsft6f |
|---|---|
| InChI | InChI=1S/C42H54N6O24/c43-7-1-13-31-19(49)25(55)37(61-13)68-32-14(2-8-44)63-39(27(57)21(32)51)70-34-16(4-10-46)65-41(29(59)23(34)53)72-36-18(6-12-48)66-42(30(60)24(36)54)71-35-17(5-11-47)64-40(28(58)22(35)52)69-33-15(3-9-45)62-38(67-31)26(56)20(33)50/h13-42,49-60H,1-6H2/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 | AQEMNBSFGWLMAI-RRUPAXBQSA-N |
| Mol Weight | 1026.9 g/mol |
| Molecular Formula | C42H54N6O24 |
| Exact Mass | 1026.318947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31TAlZaZ1am |
|---|---|
| Name | PER-6-CYANO-6-DEOXY-ALPHA-CYClODEXTRIN |
| Compound Number | 16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54N6O24 |
| InChI | InChI=1S/C42H54N6O24/c43-7-1-13-31-19(49)25(55)37(61-13)68-32-14(2-8-44)63-39(27(57)21(32)51)70-34-16(4-10-46)65-41(29(59)23(34)53)72-36-18(6-12-48)66-42(30(60)24(36)54)71-35-17(5-11-47)64-40(28(58)22(35)52)69-33-15(3-9-45)62-38(67-31)26(56)20(33)50/h13-42,49-60H,1-6H2/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 | AQEMNBSFGWLMAI-RRUPAXBQSA-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 | 1026.917 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP791 |