John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9gD4RDuxlFz SpectraBase Spectrum ID=109nq4JoOON

(accessed ).
2-(FLUORENYL-9-METHOXYCARBONYL-BETA-GLYCYL)-AMINO-5-CYANO-6-(4'-BROMOPHENYL)-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIISOPROPYLESTER
SpectraBase Compound ID 9gD4RDuxlFz
InChI InChI=1S/C36H35BrN3O7PS/c1-21(2)46-48(43,47-22(3)4)33-34(49)29(19-38)32(23-13-15-24(37)16-14-23)45-35(33)40-31(41)17-18-39-36(42)44-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-16,21-22,30H,17-18,20H2,1-4H3,(H,39,42)(H,40,41)
InChIKey SHVMORYGMZSMJA-UHFFFAOYSA-N
Mol Weight 764.6 g/mol
Molecular Formula C36H35BrN3O7PS
Exact Mass 763.111672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 109nq4JoOON
Name 2-(FLUORENYL-9-METHOXYCARBONYL-BETA-GLYCYL)-AMINO-5-CYANO-6-(4'-BROMOPHENYL)-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER
Compound Number 16.5C
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H35BrN3O7PS
InChI InChI=1S/C36H35BrN3O7PS/c1-21(2)46-48(43,47-22(3)4)33-34(49)29(19-38)32(23-13-15-24(37)16-14-23)45-35(33)40-31(41)17-18-39-36(42)44-20-30-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30/h5-16,21-22,30H,17-18,20H2,1-4H3,(H,39,42)(H,40,41)
InChIKey SHVMORYGMZSMJA-UHFFFAOYSA-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 764.628 g/mol
Solvent CDCl3
Source File Reference UWRU10249
SpectraBase Batch ID Gsp2uIhZtxC