![N-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-BENZENE-1,3,5-TRIS-CARBOXAMIDE](/api/spectrum/Dr2ZTLZIxUx/structure.png?h=300&w=458 "N-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-BENZENE-1,3,5-TRIS-CARBOXAMIDE")
| SpectraBase Compound ID | 4bp701HvdhR |
|---|---|
| InChI | InChI=1S/C69H81N9O6/c1-7-40-37-76-25-19-43(40)31-61(76)64(52-16-22-70-58-13-10-49(82-4)34-55(52)58)73-67(79)46-28-47(68(80)74-65(62-32-44-20-26-77(62)38-41(44)8-2)53-17-23-71-59-14-11-50(83-5)35-56(53)59)30-48(29-46)69(81)75-66(63-33-45-21-27-78(63)39-42(45)9-3)54-18-24-72-60-15-12-51(84-6)36-57(54)60/h10-18,22-24,28-30,34-36,40-45,61-66H,7-9,19-21,25-27,31-33,37-39H2,1-6H3,(H,73,79)(H,74,80)(H,75,81)/t40-,41-,42-,43+,44+,45+,61-,62-,63-,64-,65-,66+/m1/s1 |
| InChIKey | PADICZYJRBPCJU-FFOWALLJSA-N |
| Mol Weight | 1132.5 g/mol |
| Molecular Formula | C69H81N9O6 |
| Exact Mass | 1131.630981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dr2ZTLZIxUx |
|---|---|
| Name | N-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-BENZENE-1,3,5-TRIS-CARBOXAMIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H81N9O6 |
| InChI | InChI=1S/C69H81N9O6/c1-7-40-37-76-25-19-43(40)31-61(76)64(52-16-22-70-58-13-10-49(82-4)34-55(52)58)73-67(79)46-28-47(68(80)74-65(62-32-44-20-26-77(62)38-41(44)8-2)53-17-23-71-59-14-11-50(83-5)35-56(53)59)30-48(29-46)69(81)75-66(63-33-45-21-27-78(63)39-42(45)9-3)54-18-24-72-60-15-12-51(84-6)36-57(54)60/h10-18,22-24,28-30,34-36,40-45,61-66H,7-9,19-21,25-27,31-33,37-39H2,1-6H3,(H,73,79)(H,74,80)(H,75,81)/t40-,41-,42-,43+,44+,45+,61-,62-,63-,64-,65-,66+/m1/s1 |
| InChIKey | PADICZYJRBPCJU-FFOWALLJSA-N |
| Literature Reference Author | B.I.KAROLYI,S.BOSZE,E.ORBAN,P.SOHAR,L.DRAHOS,E.GAL,A.CSAMPAI |
| Literature Reference Citation | MOLECULES,17,2316(2012) |
| Literature Reference DOI | 10.3390/molecules17032316 |
| Molecular Weight | 1132.459 g/mol |
| Sample ID | 1807 |
| Solvent | CDCl3 |