| SpectraBase Compound ID | 9gD4RDuxlFz |
|---|---|
| InChI | InChI=1S/C36H35BrN3O7PS/c1-21(2)46-48(43,47-22(3)4)33-34(49)29(19-38)32(23-13-15-24(37)16-14-23)45-35(33)40-31(41)17-18-39-36(42)44-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-16,21-22,30H,17-18,20H2,1-4H3,(H,39,42)(H,40,41) |
| InChIKey | SHVMORYGMZSMJA-UHFFFAOYSA-N |
| Mol Weight | 764.6 g/mol |
| Molecular Formula | C36H35BrN3O7PS |
| Exact Mass | 763.111672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 109nq4JoOON |
|---|---|
| Name | 2-(FLUORENYL-9-METHOXYCARBONYL-BETA-GLYCYL)-AMINO-5-CYANO-6-(4'-BROMOPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER |
| Compound Number | 16.5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H35BrN3O7PS |
| InChI | InChI=1S/C36H35BrN3O7PS/c1-21(2)46-48(43,47-22(3)4)33-34(49)29(19-38)32(23-13-15-24(37)16-14-23)45-35(33)40-31(41)17-18-39-36(42)44-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-16,21-22,30H,17-18,20H2,1-4H3,(H,39,42)(H,40,41) |
| InChIKey | SHVMORYGMZSMJA-UHFFFAOYSA-N |
| Literature Reference Author | D.U.HAHN,R.NEIDLEIN |
| Literature Reference Citation | HETEROCYCLES,50,1041(1999) |
| Literature Reference DOI | 10.3987/COM-98-S(H)108 |
| Molecular Weight | 764.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU10249 |