| SpectraBase Compound ID | 3VdujBobRiy |
|---|---|
| InChI | InChI=1S/C37H38N3O7PS/c1-22(2)46-48(43,47-23(3)4)34-35(49)30(20-38)33(25-13-7-6-8-14-25)45-36(34)40-32(41)19-24(5)39-37(42)44-21-31-28-17-11-9-15-26(28)27-16-10-12-18-29(27)31/h6-18,22-24,31H,19,21H2,1-5H3,(H,39,42)(H,40,41)/t24-/m1/s1 |
| InChIKey | LWTOIGLQTBLHKJ-XMMPIXPASA-N |
| Mol Weight | 699.8 g/mol |
| Molecular Formula | C37H38N3O7PS |
| Exact Mass | 699.216809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPGVfTvQ0Ew |
|---|---|
| Name | 2-(FLUORENYL-9-METHOXYCARBONYL-BETA-L-ALANYL)-AMINO-5-CYANO-6-PHENYL-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER |
| Compound Number | 16.1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N3O7PS |
| InChI | InChI=1S/C37H38N3O7PS/c1-22(2)46-48(43,47-23(3)4)34-35(49)30(20-38)33(25-13-7-6-8-14-25)45-36(34)40-32(41)19-24(5)39-37(42)44-21-31-28-17-11-9-15-26(28)27-16-10-12-18-29(27)31/h6-18,22-24,31H,19,21H2,1-5H3,(H,39,42)(H,40,41)/t24-/m1/s1 |
| InChIKey | LWTOIGLQTBLHKJ-XMMPIXPASA-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 | 699.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU10247 |