![2-[4-(METHYLAMINO)-3-NITROBENZYL]-BETA-CYCLODEXTRIN](/api/spectrum/CyM3QxiesFw/structure.png?h=300&w=458 "2-[4-(METHYLAMINO)-3-NITROBENZYL]-BETA-CYCLODEXTRIN")
| SpectraBase Compound ID | 3osf2GGxlxz |
|---|---|
| InChI | InChI=1S/C50H78N2O37/c1-51-14-3-2-13(4-15(14)52(73)74)12-75-43-35(72)42-22(11-59)82-50(43)89-41-21(10-58)81-48(34(71)28(41)65)87-39-19(8-56)79-46(32(69)26(39)63)85-37-17(6-54)77-44(30(67)24(37)61)83-36-16(5-53)76-45(29(66)23(36)60)84-38-18(7-55)78-47(31(68)25(38)62)86-40-20(9-57)80-49(88-42)33(70)27(40)64/h2-4,16-51,53-72H,5-12H2,1H3/t16-,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-,46-,47-,48+,49-,50-/m0/s1 |
| InChIKey | UTWBWOHMUIUOIZ-KAWYDQBISA-N |
| Mol Weight | 1299.2 g/mol |
| Molecular Formula | C50H78N2O37 |
| Exact Mass | 1298.428341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyM3QxiesFw |
|---|---|
| Name | 2-[4-(METHYLAMINO)-3-NITROBENZYL]-BETA-CYCLODEXTRIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78N2O37 |
| InChI | InChI=1S/C50H78N2O37/c1-51-14-3-2-13(4-15(14)52(73)74)12-75-43-35(72)42-22(11-59)82-50(43)89-41-21(10-58)81-48(34(71)28(41)65)87-39-19(8-56)79-46(32(69)26(39)63)85-37-17(6-54)77-44(30(67)24(37)61)83-36-16(5-53)76-45(29(66)23(36)60)84-38-18(7-55)78-47(31(68)25(38)62)86-40-20(9-57)80-49(88-42)33(70)27(40)64/h2-4,16-51,53-72H,5-12H2,1H3/t16-,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-,46-,47-,48+,49-,50-/m0/s1 |
| InChIKey | UTWBWOHMUIUOIZ-KAWYDQBISA-N |
| Literature Reference Author | D.RONG,H.YE,T.R.BOEHLOW,V.T.D'SOUZA |
| Literature Reference Citation | J.ORG.CHEM.,57,163(1992) |
| Literature Reference DOI | 10.1021/jo00027a031 |
| Molecular Weight | 1299.161 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS557 |