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2-(BENZYLOXYCARBONYL-ALPHA-L-METHIONYL)-AMINO-5-CYANO-6-P-TOLYL-4-THIOXO-4H-PYRAN-3-YLPHOSPHONIC-ACID-DIISOPROPYLESTER
SpectraBase Compound ID E1u8sHpMsEU
InChI InChI=1S/C32H38N3O7PS2/c1-20(2)41-43(38,42-21(3)4)28-29(44)25(18-33)27(24-14-12-22(5)13-15-24)40-31(28)35-30(36)26(16-17-45-6)34-32(37)39-19-23-10-8-7-9-11-23/h7-15,20-21,26H,16-17,19H2,1-6H3,(H,34,37)(H,35,36)/t26-/m1/s1
InChIKey TYOAHIIYCIRJPP-AREMUKBSSA-N
Mol Weight 671.8 g/mol
Molecular Formula C32H38N3O7PS2
Exact Mass 671.18888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvgdUVR45dN
Name 2-(BENZYLOXYCARBONYL-ALPHA-L-METHIONYL)-AMINO-5-CYANO-6-P-TOLYL-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIISOPROPYLESTER
Compound Number 12.4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38N3O7PS2
InChI InChI=1S/C32H38N3O7PS2/c1-20(2)41-43(38,42-21(3)4)28-29(44)25(18-33)27(24-14-12-22(5)13-15-24)40-31(28)35-30(36)26(16-17-45-6)34-32(37)39-19-23-10-8-7-9-11-23/h7-15,20-21,26H,16-17,19H2,1-6H3,(H,34,37)(H,35,36)/t26-/m1/s1
InChIKey TYOAHIIYCIRJPP-AREMUKBSSA-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 671.763 g/mol
Solvent CDCl3
Source File Reference UWRU10242