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3-(2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL)-(S)-LACTOYL-(S)-PHENYLALANINE-METHYLESTER

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3-(2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL)-(S)-LACTOYL-(S)-PHENYLALANINE-METHYLESTER
SpectraBase Compound ID 4bhfdojJePC
InChI InChI=1S/C22H21FN2O4S/c1-29-22(28)18(11-14-5-3-2-4-6-14)25-20(27)19(26)12-17-13-30-21(24-17)15-7-9-16(23)10-8-15/h2-10,13,18-19,26H,11-12H2,1H3,(H,25,27)/t18-,19+/m0/s1
InChIKey REUCBNKUOMEGPV-RBUKOAKNSA-N
Mol Weight 428.48 g/mol
Molecular Formula C22H21FN2O4S
Exact Mass 428.120606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNDOYgdVB9P
Name 3-(2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL)-(S)-LACTOYL-(S)-PHENYLALANINE-METHYLESTER
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21FN2O4S
InChI InChI=1S/C22H21FN2O4S/c1-29-22(28)18(11-14-5-3-2-4-6-14)25-20(27)19(26)12-17-13-30-21(24-17)15-7-9-16(23)10-8-15/h2-10,13,18-19,26H,11-12H2,1H3,(H,25,27)/t18-,19+/m0/s1
InChIKey REUCBNKUOMEGPV-RBUKOAKNSA-N
Literature Reference Author K.BURGER,E.WINDEISEN,E.HEISTRACHER,T.LANGE,A.A.H.ABDEL-ALEEM
Literature Reference Citation MH.CHEM.,133,41(2002)
Literature Reference DOI 10.1007/s007060270005
Molecular Weight 428.478 g/mol
Solvent DMSO-D6
Source File Reference UWKP5028