| SpectraBase Compound ID | Gz2JncrYXO1 |
|---|---|
| InChI | InChI=1S/C31H27FN3O6PS/c1-3-40-42(38,24-12-8-5-9-13-24)27-28(43)25(18-33)26(22-14-16-23(32)17-15-22)41-30(27)35-29(36)20(2)34-31(37)39-19-21-10-6-4-7-11-21/h4-17,20H,3,19H2,1-2H3,(H,34,37)(H,35,36)/t20-,42?/m1/s1 |
| InChIKey | QWZGPGRLICMBJG-QPOQTVOPSA-N |
| Mol Weight | 619.6 g/mol |
| Molecular Formula | C31H27FN3O6PS |
| Exact Mass | 619.134222 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GiO6aQnz1t |
|---|---|
| Name | 2-(BENZYLOXYCARBONYL-ALPHA-L-ALANYL)-AMINO-5-CYANO-6-(4'-CHLOROPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHENYLPHOSPHINIC-ACID-ETHYLESTER |
| Compound Number | 13.3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H27FN3O6PS |
| InChI | InChI=1S/C31H27FN3O6PS/c1-3-40-42(38,24-12-8-5-9-13-24)27-28(43)25(18-33)26(22-14-16-23(32)17-15-22)41-30(27)35-29(36)20(2)34-31(37)39-19-21-10-6-4-7-11-21/h4-17,20H,3,19H2,1-2H3,(H,34,37)(H,35,36)/t20-,42?/m1/s1 |
| InChIKey | QWZGPGRLICMBJG-QPOQTVOPSA-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 |
| Solvent | CDCl3 |
| Source File Reference | UWRU10244 |