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2-(FLUORENYL-9-METHOXYCARBONYL-BETA-L-ALANYL)-AMINO-5-CYANO-6-PHENYL-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIISOPROPYLESTER
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

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