| SpectraBase Compound ID | C85LSeMzCLT |
|---|---|
| InChI | InChI=1S/C27H34N2OS/c1-20(16-17-24-22(3)13-10-18-27(24,4)5)11-9-12-21(2)19-25(30)29-26(31)28-23-14-7-6-8-15-23/h6-9,11-12,14-17,19H,10,13,18H2,1-5H3,(H2,28,29,30,31)/b12-9+,17-16+,20-11+,21-19+ |
| InChIKey | PEXDZUHWLULCCN-GFDJYDRDSA-N |
| Mol Weight | 434.6 g/mol |
| Molecular Formula | C27H34N2OS |
| Exact Mass | 434.239185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOajs5Ps7gb |
|---|---|
| Name | N1-Retinoyl-N2-phenyl-thiourea |
| CAS Registry Number | 54155-01-0 |
| Comments | WHE-6445-46 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H34N2OS |
| InChI | InChI=1S/C27H34N2OS/c1-20(16-17-24-22(3)13-10-18-27(24,4)5)11-9-12-21(2)19-25(30)29-26(31)28-23-14-7-6-8-15-23/h6-9,11-12,14-17,19H,10,13,18H2,1-5H3,(H2,28,29,30,31)/b12-9+,17-16+,20-11+,21-19+ |
| InChIKey | PEXDZUHWLULCCN-GFDJYDRDSA-N |
| Instrument Name | Bruker WP-80 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |