| SpectraBase Compound ID | E5ywgWUDK3i |
|---|---|
| InChI | InChI=1S/C27H33FN2OS/c1-19(11-16-24-21(3)10-7-17-27(24,4)5)8-6-9-20(2)18-25(31)30-26(32)29-23-14-12-22(28)13-15-23/h6,8-9,11-16,18H,7,10,17H2,1-5H3,(H2,29,30,31,32)/b9-6+,16-11+,19-8+,20-18+ |
| InChIKey | BPJAXKMXDNATPQ-FXILSDISSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C27H33FN2OS |
| Exact Mass | 452.229763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36UAjDO5CNB |
|---|---|
| Name | N1-Retinoyl-N2-(4-fluoro-phenyl)-thiourea |
| CAS Registry Number | 54196-05-3 |
| Comments | WHE-6432-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H33FN2OS |
| InChI | InChI=1S/C27H33FN2OS/c1-19(11-16-24-21(3)10-7-17-27(24,4)5)8-6-9-20(2)18-25(31)30-26(32)29-23-14-12-22(28)13-15-23/h6,8-9,11-16,18H,7,10,17H2,1-5H3,(H2,29,30,31,32)/b9-6+,16-11+,19-8+,20-18+ |
| InChIKey | BPJAXKMXDNATPQ-FXILSDISSA-N |
| Instrument Name | Bruker WP-80 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |