| SpectraBase Compound ID | Dlu0Te1Sjgu |
|---|---|
| InChI | InChI=1S/C29H31FN3O7PS2/c1-4-38-41(36,39-5-2)25-26(42)22(17-31)24(20-11-13-21(30)14-12-20)40-28(25)33-27(34)23(15-16-43-3)32-29(35)37-18-19-9-7-6-8-10-19/h6-14,23H,4-5,15-16,18H2,1-3H3,(H,32,35)(H,33,34)/t23-/m1/s1 |
| InChIKey | ZUXIFZZYBPKBRG-HSZRJFAPSA-N |
| Mol Weight | 647.67 g/mol |
| Molecular Formula | C29H31FN3O7PS2 |
| Exact Mass | 647.132508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BODMYUh4hbv |
|---|---|
| Name | 2-(BENZYLOXYCARBONYL-ALPHA-L-METHIONYL)-AMINO-5-CYANO-6-(4'-FLUOROPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER |
| Compound Number | 12.3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H31FN3O7PS2 |
| InChI | InChI=1S/C29H31FN3O7PS2/c1-4-38-41(36,39-5-2)25-26(42)22(17-31)24(20-11-13-21(30)14-12-20)40-28(25)33-27(34)23(15-16-43-3)32-29(35)37-18-19-9-7-6-8-10-19/h6-14,23H,4-5,15-16,18H2,1-3H3,(H,32,35)(H,33,34)/t23-/m1/s1 |
| InChIKey | ZUXIFZZYBPKBRG-HSZRJFAPSA-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 | 647.673 g/mol |
| Solvent | CDCl3 |