| SpectraBase Compound ID | CJbLswtT98Y |
|---|---|
| InChI | InChI=1S/C72H106N2O18/c1-61(2,3)53-47-57(75)83-39-27-35-79-43-31-25-32-44(51(43)73)81-37-29-41-85-59(77)49-55(63(7,8)9)89-72(68(22,23)24)50(56(64(10,11)12)90-71(49,92-72)67(19,20)21)60(78)86-42-30-38-82-46-34-26-33-45(52(46)74)80-36-28-40-84-58(76)48-54(62(4,5)6)88-69(47,65(13,14)15)91-70(48,87-53)66(16,17)18/h25-26,31-34H,27-30,35-42,73-74H2,1-24H3/t69-,70-,71+,72+ |
| InChIKey | ZWLBSFUSCFPMMO-IZRMNVJNSA-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 | 71yaKyugtwQ |
|---|---|
| Name | BIS-(2-AMINO-1,3-PHENYLENE)-MACROCYCLE |
| Compound Number | 13 |
| 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)53-47-57(75)83-39-27-35-79-43-31-25-32-44(51(43)73)81-37-29-41-85-59(77)49-55(63(7,8)9)89-72(68(22,23)24)50(56(64(10,11)12)90-71(49,92-72)67(19,20)21)60(78)86-42-30-38-82-46-34-26-33-45(52(46)74)80-36-28-40-84-58(76)48-54(62(4,5)6)88-69(47,65(13,14)15)91-70(48,87-53)66(16,17)18/h25-26,31-34H,27-30,35-42,73-74H2,1-24H3/t69-,70-,71+,72+ |
| InChIKey | ZWLBSFUSCFPMMO-IZRMNVJNSA-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 | UWIR10547 |