| SpectraBase Compound ID | 9MYHhvcYk2K |
|---|---|
| InChI | InChI=1S/C29H32N3O7PS/c1-5-37-40(35,38-6-2)25-26(41)22(17-30)24(21-15-11-8-12-16-21)39-28(25)32-27(33)23(19(3)4)31-29(34)36-18-20-13-9-7-10-14-20/h7-16,19,23H,5-6,18H2,1-4H3,(H,31,34)(H,32,33)/t23-/m1/s1 |
| InChIKey | QJWGAESEDVZHEH-HSZRJFAPSA-N |
| Mol Weight | 597.6 g/mol |
| Molecular Formula | C29H32N3O7PS |
| Exact Mass | 597.169859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T9TNvmHLus |
|---|---|
| Name | 2-(BENZYLOXYCARBONYL-ALPHA-L-VALINYL)-AMINO-5-CYANO-6-PHENYL-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER |
| Compound Number | 12.1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32N3O7PS |
| InChI | InChI=1S/C29H32N3O7PS/c1-5-37-40(35,38-6-2)25-26(41)22(17-30)24(21-15-11-8-12-16-21)39-28(25)32-27(33)23(19(3)4)31-29(34)36-18-20-13-9-7-10-14-20/h7-16,19,23H,5-6,18H2,1-4H3,(H,31,34)(H,32,33)/t23-/m1/s1 |
| InChIKey | QJWGAESEDVZHEH-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 | 597.623 g/mol |
| Solvent | CDCl3 |