![1-BENZOYL-3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA](/api/spectrum/1B1WrnjfQMT/structure.png?h=300&w=458 "1-BENZOYL-3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA")
| SpectraBase Compound ID | B8RAuINaVOj |
|---|---|
| InChI | InChI=1S/C28H32N4O2S/c1-3-18-17-32-14-12-20(18)15-25(32)26(30-28(35)31-27(33)19-7-5-4-6-8-19)22-11-13-29-24-10-9-21(34-2)16-23(22)24/h4-11,13,16,18,20,25-26H,3,12,14-15,17H2,1-2H3,(H2,30,31,33,35)/t18-,20+,25-,26+/m1/s1 |
| InChIKey | BXGVQPDVLSWUAW-HOFFSEQDSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C28H32N4O2S |
| Exact Mass | 488.224597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1B1WrnjfQMT |
|---|---|
| Name | 1-BENZOYL-3-[(S)-[(2S,4R,8R)-8-ETHYL-QUINUCLIDIN-2-YL]-(6-METHOXY-QUINOLIN-4-YL)-METHYL]-THIOUREA |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N4O2S |
| InChI | InChI=1S/C28H32N4O2S/c1-3-18-17-32-14-12-20(18)15-25(32)26(30-28(35)31-27(33)19-7-5-4-6-8-19)22-11-13-29-24-10-9-21(34-2)16-23(22)24/h4-11,13,16,18,20,25-26H,3,12,14-15,17H2,1-2H3,(H2,30,31,33,35)/t18-,20+,25-,26+/m1/s1 |
| InChIKey | BXGVQPDVLSWUAW-HOFFSEQDSA-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 | 488.648 g/mol |
| Sample ID | 1805 |
| Solvent | CDCl3 |