| SpectraBase Compound ID | 9AmhBrcdpfM |
|---|---|
| InChI | InChI=1S/C63H84N14O28/c78-36-43(85)57-92-29(15-71-8-1-64-22-71)50(36)99-58-44(86)37(79)52(31(93-58)17-73-10-3-66-24-73)101-60-46(88)39(81)54(33(95-60)19-75-12-5-68-26-75)103-62-48(90)41(83)56(35(97-62)21-77-14-7-70-28-77)105-63-49(91)42(84)55(34(98-63)20-76-13-6-69-27-76)104-61-47(89)40(82)53(32(96-61)18-74-11-4-67-25-74)102-59-45(87)38(80)51(100-57)30(94-59)16-72-9-2-65-23-72/h1-14,22-63,78-91H,15-21H2/t29-,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+,57+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | CXBHDWZFLVLBRQ-CUJHCCEDSA-N |
| Mol Weight | 1485.4 g/mol |
| Molecular Formula | C63H84N14O28 |
| Exact Mass | 1484.557948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5nHnsvzisa |
|---|---|
| Name | PER-6-IMIDAZOLYL-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H84N14O28 |
| InChI | InChI=1S/C63H84N14O28/c78-36-43(85)57-92-29(15-71-8-1-64-22-71)50(36)99-58-44(86)37(79)52(31(93-58)17-73-10-3-66-24-73)101-60-46(88)39(81)54(33(95-60)19-75-12-5-68-26-75)103-62-48(90)41(83)56(35(97-62)21-77-14-7-70-28-77)105-63-49(91)42(84)55(34(98-63)20-76-13-6-69-27-76)104-61-47(89)40(82)53(32(96-61)18-74-11-4-67-25-74)102-59-45(87)38(80)51(100-57)30(94-59)16-72-9-2-65-23-72/h1-14,22-63,78-91H,15-21H2/t29-,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+,57+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | CXBHDWZFLVLBRQ-CUJHCCEDSA-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 | 1485.437 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP797 |