![4-(1''-ETHOXYETHOXY)-1-[(1'-PHENYLSULFANYL)-CYCLOHEXYL]-BUTANOL](/api/spectrum/KJGWogf8N5h/structure.png?h=300&w=458 "4-(1''-ETHOXYETHOXY)-1-[(1'-PHENYLSULFANYL)-CYCLOHEXYL]-BUTANOL")
| SpectraBase Compound ID | 3uYrAfA8fw5 |
|---|---|
| InChI | InChI=1S/2C20H32O3S/c1-3-21-18(2)22-16-10-11-17-23-20(14-8-5-9-15-20)24-19-12-6-4-7-13-19;1-3-22-17(2)23-16-10-13-19(21)20(14-8-5-9-15-20)24-18-11-6-4-7-12-18/h4,6-7,12-13,18H,3,5,8-11,14-17H2,1-2H3;4,6-7,11-12,17,19,21H,3,5,8-10,13-16H2,1-2H3 |
| InChIKey | NJXQBCKZMJTFOT-UHFFFAOYSA-N |
| Mol Weight | 705.1 g/mol |
| Molecular Formula | C40H64O6S2 |
| Exact Mass | 704.414432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJGWogf8N5h |
|---|---|
| Name | 4-(1''-ETHOXYETHOXY)-1-[(1'-PHENYLSULFANYL)-CYCLOHEXYL]-BUTANOL |
| Compound Number | 37,N=3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O6S2 |
| InChI | InChI=1S/2C20H32O3S/c1-3-21-18(2)22-16-10-11-17-23-20(14-8-5-9-15-20)24-19-12-6-4-7-13-19;1-3-22-17(2)23-16-10-13-19(21)20(14-8-5-9-15-20)24-18-11-6-4-7-12-18/h4,6-7,12-13,18H,3,5,8-11,14-17H2,1-2H3;4,6-7,11-12,17,19,21H,3,5,8-10,13-16H2,1-2H3 |
| InChIKey | NJXQBCKZMJTFOT-UHFFFAOYSA-N |
| Literature Reference Author | L.DJAKOVITCH,J.EAMES,D.J.FOX,F.H.SANSBURY,S.WARREN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2771(1999) |
| Literature Reference DOI | 10.1039/a905498g |
| Molecular Weight | 705.065 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8949 |