| SpectraBase Compound ID | 9768RYRuGhi |
|---|---|
| InChI | InChI=1S/C42H40N3O7PS/c1-4-50-53(48,51-5-2)39-40(54)35(25-43)38(29-21-19-27(3)20-22-29)52-41(39)45-37(46)24-30(23-28-13-7-6-8-14-28)44-42(47)49-26-36-33-17-11-9-15-31(33)32-16-10-12-18-34(32)36/h6-22,30,36H,4-5,23-24,26H2,1-3H3,(H,44,47)(H,45,46)/t30-/m1/s1 |
| InChIKey | KNURJUNWIVUGPD-SSEXGKCCSA-N |
| Mol Weight | 761.8 g/mol |
| Molecular Formula | C42H40N3O7PS |
| Exact Mass | 761.232459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3WgmFL85rH |
|---|---|
| Name | 2-(FLUORENYL-9-METHOXYCARBONYL-BETA-L-PHENYLALANYL)-AMINO-5-CYANO-6-P-TOLYL-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER |
| Compound Number | 16.4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H40N3O7PS |
| InChI | InChI=1S/C42H40N3O7PS/c1-4-50-53(48,51-5-2)39-40(54)35(25-43)38(29-21-19-27(3)20-22-29)52-41(39)45-37(46)24-30(23-28-13-7-6-8-14-28)44-42(47)49-26-36-33-17-11-9-15-31(33)32-16-10-12-18-34(32)36/h6-22,30,36H,4-5,23-24,26H2,1-3H3,(H,44,47)(H,45,46)/t30-/m1/s1 |
| InChIKey | KNURJUNWIVUGPD-SSEXGKCCSA-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 | 761.829 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU10246 |