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3-thiazolidinepropanamide, 5-[(3-fluorophenyl)methylene]-N-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-2,4-dioxo-, (5Z)-
SpectraBase Compound ID LCdsj90YzoM
InChI InChI=1S/C22H21FN2O4S/c23-17-8-4-7-16(11-17)13-19-21(28)25(22(29)30-19)10-9-20(27)24-18(14-26)12-15-5-2-1-3-6-15/h1-8,11,13,18,26H,9-10,12,14H2,(H,24,27)/b19-13-
InChIKey XZIKOCNHAJPGGI-UYRXBGFRSA-N
Mol Weight 428.48 g/mol
Molecular Formula C22H21FN2O4S
Exact Mass 428.120606 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4VfkGHHaJq
Name 3-Thiazolidinepropanamide, 5-[(3-fluorophenyl)methylene]-N-[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]-2,4-dioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.120606497 u
Formula C22H21FN2O4S
InChI InChI=1S/C22H21FN2O4S/c23-17-8-4-7-16(11-17)13-19-21(28)25(22(29)30-19)10-9-20(27)24-18(14-26)12-15-5-2-1-3-6-15/h1-8,11,13,18,26H,9-10,12,14H2,(H,24,27)/b19-13-
InChIKey XZIKOCNHAJPGGI-UYRXBGFRSA-N
Molecular Weight 428.478 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C\C=1C=C(F)C=CC1)=O)=O)C(CO)CC1=CC=CC=C1
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