| SpectraBase Compound ID | 86kXmZEJPzq |
|---|---|
| InChI | InChI=1S/C45H75NO34.ClH/c1-2-3-46-4-11-32-18(53)25(60)39(67-11)75-33-12(5-47)69-41(27(62)20(33)55)77-35-14(7-49)71-43(29(64)22(35)57)79-37-16(9-51)73-45(31(66)24(37)59)80-38-17(10-52)72-44(30(65)23(38)58)78-36-15(8-50)70-42(28(63)21(36)56)76-34-13(6-48)68-40(74-32)26(61)19(34)54;/h2,11-66H,1,3-10H2;1H/t11-,12-,13+,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+,43+,44+,45+;/m1./s1 |
| InChIKey | UJNIVPCQCGGUDP-LVVKVRFYSA-N |
| Mol Weight | 1210.5 g/mol |
| Molecular Formula | C45H76ClNO34 |
| Exact Mass | 1209.393726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByUX368oiUT |
|---|---|
| Name | ALAM-BETA-CD;MONO-6-N-ALLYLAMMONIUM-6-DEOXY-BETA-CYCLODEXTRIN-CHLORIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76ClNO34 |
| InChI | InChI=1S/C45H75NO34.ClH/c1-2-3-46-4-11-32-18(53)25(60)39(67-11)75-33-12(5-47)69-41(27(62)20(33)55)77-35-14(7-49)71-43(29(64)22(35)57)79-37-16(9-51)73-45(31(66)24(37)59)80-38-17(10-52)72-44(30(65)23(38)58)78-36-15(8-50)70-42(28(63)21(36)56)76-34-13(6-48)68-40(74-32)26(61)19(34)54;/h2,11-66H,1,3-10H2;1H/t11-,12-,13+,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+,43+,44+,45+;/m1./s1 |
| InChIKey | UJNIVPCQCGGUDP-LVVKVRFYSA-N |
| Literature Reference Author | W.H.TANG,I.W.MUDERAWAN,T.T.ONG,S.C.NG |
| Literature Reference Citation | ANAL.CHIM.ACTA,546,119(2005) |
| Literature Reference DOI | 10.1016/j.aca.2005.05.013 |
| Molecular Weight | 1210.538 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT11204 |