![1,3-BIS-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA](/api/spectrum/EFexsrtbUKp/structure.png?h=300&w=458 "1,3-BIS-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA")
| SpectraBase Compound ID | 1xOgEFt5NS3 |
|---|---|
| InChI | InChI=1S/C41H52N6O2S/c1-5-25-23-46-17-13-27(25)19-37(46)39(31-11-15-42-35-9-7-29(48-3)21-33(31)35)44-41(50)45-40(38-20-28-14-18-47(38)24-26(28)6-2)32-12-16-43-36-10-8-30(49-4)22-34(32)36/h7-12,15-16,21-22,25-28,37-40H,5-6,13-14,17-20,23-24H2,1-4H3,(H2,44,45,50)/t25-,26+,27+,28-,37-,38+,39+,40- |
| InChIKey | MLFMCVLPMWNHBP-KIGRTTCNSA-N |
| Mol Weight | 693.0 g/mol |
| Molecular Formula | C41H52N6O2S |
| Exact Mass | 692.387246 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFexsrtbUKp |
|---|---|
| Name | 1,3-BIS-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52N6O2S |
| InChI | InChI=1S/C41H52N6O2S/c1-5-25-23-46-17-13-27(25)19-37(46)39(31-11-15-42-35-9-7-29(48-3)21-33(31)35)44-41(50)45-40(38-20-28-14-18-47(38)24-26(28)6-2)32-12-16-43-36-10-8-30(49-4)22-34(32)36/h7-12,15-16,21-22,25-28,37-40H,5-6,13-14,17-20,23-24H2,1-4H3,(H2,44,45,50)/t25-,26+,27+,28-,37-,38+,39+,40- |
| InChIKey | MLFMCVLPMWNHBP-KIGRTTCNSA-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 | 692.963 g/mol |
| Sample ID | 1806 |
| Solvent | DMSO-D6 |