![[5-[[N-[2-(CYCLOHEXYLAMINO)-2-OXO-1-PHENYLETHYL]-ACETAMIDO]-METHYL]-2-FLUOROPHENYL]-BORONIC-ACID](/api/spectrum/1xGVpvyhdh9/structure.png?h=300&w=458 "[5-[[N-[2-(CYCLOHEXYLAMINO)-2-OXO-1-PHENYLETHYL]-ACETAMIDO]-METHYL]-2-FLUOROPHENYL]-BORONIC-ACID")
| SpectraBase Compound ID | AiGJRSWm12L |
|---|---|
| InChI | InChI=1S/C23H28BFN2O4/c1-16(28)27(15-17-12-13-21(25)20(14-17)24(30)31)22(18-8-4-2-5-9-18)23(29)26-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19,22,30-31H,3,6-7,10-11,15H2,1H3,(H,26,29) |
| InChIKey | QXQGOHWCNMZLFJ-UHFFFAOYSA-N |
| Mol Weight | 426.3 g/mol |
| Molecular Formula | C23H28BFN2O4 |
| Exact Mass | 426.212616 g/mol |
11B Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xGVpvyhdh9 |
|---|---|
| Name | [5-[[N-[2-(CYCLOHEXYLAMINO)-2-OXO-1-PHENYLETHYL]-ACETAMIDO]-METHYL]-2-FLUOROPHENYL]-BORONIC-ACID |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28BFN2O4 |
| InChI | InChI=1S/C23H28BFN2O4/c1-16(28)27(15-17-12-13-21(25)20(14-17)24(30)31)22(18-8-4-2-5-9-18)23(29)26-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19,22,30-31H,3,6-7,10-11,15H2,1H3,(H,26,29) |
| InChIKey | QXQGOHWCNMZLFJ-UHFFFAOYSA-N |
| Literature Reference Author | S.H.CHUNG,T.J.LIN,Q.Y.HU,C.H.TSAI,P.S.PAN |
| Literature Reference Citation | MOLECULES,18,12346(2013) |
| Literature Reference DOI | 10.3390/molecules181012346 |
| Solvent | CD3OD |
| Source File Reference | UWIR9630 |