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3-thiazolidinepropanamide, 5-[(2-fluorophenyl)methylene]-N-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxo-, (5Z)-
SpectraBase Compound ID K20UFjdUi7p
InChI InChI=1S/C21H19FN2O4S/c22-17-4-2-1-3-15(17)13-18-20(27)24(21(28)29-18)12-10-19(26)23-11-9-14-5-7-16(25)8-6-14/h1-8,13,25H,9-12H2,(H,23,26)/b18-13-
InChIKey BKEAJQJGPZLCIC-AQTBWJFISA-N
Mol Weight 414.45 g/mol
Molecular Formula C21H19FN2O4S
Exact Mass 414.104956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcXUCtOCDrx
Name 3-Thiazolidinepropanamide, 5-[(2-fluorophenyl)methylene]-N-[2-(4-hydroxyphenyl)ethyl]-2,4-dioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.104956433 u
Formula C21H19FN2O4S
InChI InChI=1S/C21H19FN2O4S/c22-17-4-2-1-3-15(17)13-18-20(27)24(21(28)29-18)12-10-19(26)23-11-9-14-5-7-16(25)8-6-14/h1-8,13,25H,9-12H2,(H,23,26)/b18-13-
InChIKey BKEAJQJGPZLCIC-AQTBWJFISA-N
Molecular Weight 414.451 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C\C=1C(F)=CC=CC1)=O)=O)CCC1=CC=C(C=C1)O