| SpectraBase Compound ID | 4Rcbj3TG0FR |
|---|---|
| InChI | InChI=1S/C72H106N2O18/c1-61(2,3)53-49-57(75)83-37-25-33-79-43-29-31-48(45(73)41-43)82-36-28-40-86-60(78)52-56(64(10,11)12)90-70(66(16,17)18)50(54(62(4,5)6)88-72(52,92-70)68(22,23)24)58(76)84-38-26-34-80-44-30-32-47(46(74)42-44)81-35-27-39-85-59(77)51-55(63(7,8)9)89-69(49,65(13,14)15)91-71(51,87-53)67(19,20)21/h29-32,41-42H,25-28,33-40,73-74H2,1-24H3/t69-,70+,71-,72+ |
| InChIKey | XVVKIALBTSDLPQ-UNIDEBNKSA-N |
| Mol Weight | 1287.6 g/mol |
| Molecular Formula | C72H106N2O18 |
| Exact Mass | 1286.744065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFJDsVd5dhG |
|---|---|
| Name | BIS-(2-AMINO-1,4-PHENYLENE)-MACROCYCLE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H106N2O18 |
| InChI | InChI=1S/C72H106N2O18/c1-61(2,3)53-49-57(75)83-37-25-33-79-43-29-31-48(45(73)41-43)82-36-28-40-86-60(78)52-56(64(10,11)12)90-70(66(16,17)18)50(54(62(4,5)6)88-72(52,92-70)68(22,23)24)58(76)84-38-26-34-80-44-30-32-47(46(74)42-44)81-35-27-39-85-59(77)51-55(63(7,8)9)89-69(49,65(13,14)15)91-71(51,87-53)67(19,20)21/h29-32,41-42H,25-28,33-40,73-74H2,1-24H3/t69-,70+,71-,72+ |
| InChIKey | XVVKIALBTSDLPQ-UNIDEBNKSA-N |
| Literature Reference Author | S.LEBER,G.KOLLENZ,C.WENTRUP |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,738(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.83 |
| Molecular Weight | 1287.636 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR10544 |