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N-[2-(2-CHLOROPHENYL)-4-OXOTHIAZOLIDIN-3-YL]-2-(4-METHYL-2-OXO-2H-CHROMEN-7-YLOXY)-ACETAMIDE
SpectraBase Compound ID 4pdeiVOjCLL
InChI InChI=1S/C21H17ClN2O5S/c1-12-8-20(27)29-17-9-13(6-7-14(12)17)28-10-18(25)23-24-19(26)11-30-21(24)15-4-2-3-5-16(15)22/h2-9,21H,10-11H2,1H3,(H,23,25)
InChIKey QCIKEUKFJMWRES-UHFFFAOYSA-N
Mol Weight 444.89 g/mol
Molecular Formula C21H17ClN2O5S
Exact Mass 444.054671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTfpTb3nvYu
Name N-[2-(2-CHLOROPHENYL)-4-OXOTHIAZOLIDIN-3-YL]-2-(4-METHYL-2-OXO-2H-CHROMEN-7-YLOXY)-ACETAMIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O5S
InChI InChI=1S/C21H17ClN2O5S/c1-12-8-20(27)29-17-9-13(6-7-14(12)17)28-10-18(25)23-24-19(26)11-30-21(24)15-4-2-3-5-16(15)22/h2-9,21H,10-11H2,1H3,(H,23,25)
InChIKey QCIKEUKFJMWRES-UHFFFAOYSA-N
Literature Reference Author M.CACIC,M.MOLNAR,B.SARKANJ,E.HAS-SCHOEN,V.RAJKOVIC
Literature Reference Citation MOLECULES,15,6795(2010)
Literature Reference DOI 10.3390/molecules15106795
Molecular Weight 444.889 g/mol
Sample ID 72480
Solvent DMSO-D6